data_2kje_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 2kje _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 1770 ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 . . . . . 0 N--CA 1.476 0.866 0 N-CA-C 111.695 0.258 . . . . 0.0 111.695 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 6.5 mp -66.23 -43.42 86.65 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.514 1.126 . . . . 0.0 110.828 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 60.0 m -61.54 -43.0 99.65 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.491 -0.755 . . . . 0.0 111.136 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 52.6 mt -56.64 -61.59 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 124.784 1.233 . . . . 0.0 110.437 175.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -61.54 -34.01 74.81 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -178.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 71.5 mmt-85 -63.37 -49.9 72.02 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.081 0.855 . . . . 0.0 110.459 175.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 17.8 t -62.63 -31.97 72.92 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.287 0.635 . . . . 0.0 111.864 176.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 48.9 mt -64.66 -27.64 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 120.564 -1.335 . . . . 0.0 112.052 175.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -66.25 -40.02 89.91 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 120.456 -1.403 . . . . 0.0 109.363 173.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 3.3 m -63.16 -39.89 95.97 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.773 1.629 . . . . 0.0 110.951 175.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 54.9 tp -57.36 -57.75 11.28 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.271 1.428 . . . . 0.0 109.694 174.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 98.6 t -54.58 -51.42 50.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-O 118.36 -0.828 . . . . 0.0 110.439 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 18.2 t60 -51.29 -61.88 1.96 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.032 0.933 . . . . 0.0 111.033 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.45 -25.95 60.45 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -178.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 69.5 m -80.55 -14.8 57.92 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.236 1.015 . . . . 0.0 113.702 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -120.04 -12.45 9.12 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.201 1.4 . . . . 0.0 114.689 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 19.8 t -54.52 120.38 6.57 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 127.353 2.261 . . . . 0.0 111.913 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -68.69 -7.72 35.99 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.98 2.112 . . . . 0.0 116.384 -176.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 33.6 t30 -140.19 115.23 9.72 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.88 1.272 . . . . 0.0 112.464 -177.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -58.82 -17.26 22.05 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -95.19 6.94 47.66 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 126.68 1.992 . . . . 0.0 114.269 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 46.8 t -44.23 125.34 4.48 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.814 2.046 . . . . 0.0 113.152 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 38.7 m -79.77 -5.23 54.92 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -176.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.04 116.34 23.95 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 126.31 1.844 . . . . 0.0 108.506 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -47.35 -41.94 28.16 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.655 2.904 . . . . 0.0 115.356 -175.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 19.9 m -66.92 -42.78 84.78 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.394 0.677 . . . . 0.0 112.013 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 32.6 t -61.85 -50.98 70.08 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.474 1.51 . . . . 0.0 109.359 176.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -50.25 -50.22 50.7 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.546 1.138 . . . . 0.0 112.164 176.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 81.5 mttt -63.5 -46.44 86.11 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.286 1.034 . . . . 0.0 111.365 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 3.1 tpt -59.33 -41.18 88.55 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.232 1.013 . . . . 0.0 112.768 177.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -50.38 -39.66 47.35 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.23 1.412 . . . . 0.0 112.81 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -59.57 -58.19 9.67 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.255 0.934 . . . . 0.0 111.948 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 17.2 m -63.4 -36.77 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 118.437 0.562 . . . . 0.0 112.443 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 44.6 t -61.64 -50.67 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.24 1.016 . . . . 0.0 110.298 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -62.99 -30.32 71.5 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.211 1.004 . . . . 0.0 112.217 176.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 7.9 t60 -68.19 -66.4 0.57 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.926 0.891 . . . . 0.0 110.131 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 6.6 t -55.32 -34.05 63.84 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.873 1.435 . . . . 0.0 114.873 -175.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -71.07 -16.17 62.57 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -122.23 -12.88 5.06 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.119 1.342 . . . . 0.0 115.993 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 38.6 t -58.0 115.82 3.12 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.537 1.535 . . . . 0.0 111.992 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -71.34 -8.37 53.28 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.365 1.466 . . . . 0.0 113.324 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -106.89 -60.97 1.6 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.897 2.079 . . . . 0.0 111.13 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1812 ' ' LYS . . . . . . . . . . . . 0.307 2.7 ptpp? 46.08 -166.39 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 128.441 2.696 . . . . 0.0 114.804 -175.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 40.1 p -56.35 -30.19 62.34 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 120.693 -1.254 . . . . 0.0 113.105 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -60.21 -40.3 89.62 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.04 1.336 . . . . 0.0 112.141 176.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -96.08 -5.3 59.61 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.465 1.507 . . . . 0.0 114.555 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 99.6 13.29 38.44 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.371 1.462 . . . . 0.0 116.552 178.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 33.3 t -58.34 121.49 52.58 Favored Pre-proline 0 CA--C 1.553 1.086 0 CA-C-N 119.423 1.612 . . . . 0.0 111.83 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -66.81 -39.2 15.35 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 123.026 2.484 . . . . 0.0 114.204 -178.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 78.8 t -56.11 -58.48 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 124.602 1.161 . . . . 0.0 111.267 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 32.4 m -52.73 -43.13 65.5 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.708 1.603 . . . . 0.0 111.168 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.84 -46.0 90.64 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.632 1.173 . . . . 0.0 111.292 176.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -58.76 -42.78 89.72 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.294 0.952 . . . . 0.0 111.336 178.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -51.97 61.72 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.383 0.611 . . . . 0.0 111.053 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 53.0 mt -61.92 -30.54 48.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 125.138 1.375 . . . . 0.0 112.514 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.49 90.5 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.012 1.278 . . . . 0.0 111.227 175.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 6.0 mp -70.24 -39.21 75.17 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.338 1.055 . . . . 0.0 111.047 175.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 85.9 m -59.62 -38.3 80.95 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.416 0.553 . . . . 0.0 110.534 173.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 49.2 t -64.8 -51.93 59.56 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.903 1.281 . . . . 0.0 110.935 176.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 35.5 t80 -54.95 -44.96 74.81 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.167 0.587 . . . . 0.0 111.046 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 58.1 t60 -58.14 -60.72 3.3 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.796 0.839 . . . . 0.0 110.414 175.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -55.2 -33.57 63.16 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.533 1.533 . . . . 0.0 114.844 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -56.03 -44.17 78.5 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.821 1.648 . . . . 0.0 110.851 177.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -90.22 -27.63 19.39 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.75 1.62 . . . . 0.0 114.842 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 12.3 t -66.24 165.17 14.37 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.178 1.391 . . . . 0.0 112.994 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -153.16 -3.17 0.21 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.74 2.016 . . . . 0.0 114.783 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -71.85 113.47 8.91 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 120.771 -1.206 . . . . 0.0 111.098 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 31.7 t30 -61.24 -14.04 23.07 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -131.88 28.71 4.5 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.888 2.075 . . . . 0.0 113.534 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 7.8 t -48.73 136.4 13.26 Favored Pre-proline 0 CA--C 1.557 1.236 0 C-N-CA 126.549 1.939 . . . . 0.0 112.1 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -63.51 -23.64 70.75 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 123.41 2.74 . . . . 0.0 114.825 -177.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 95.3 t -69.94 121.81 84.02 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 124.622 1.169 . . . . 0.0 108.963 176.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -64.48 -43.62 13.32 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.718 2.279 . . . . 0.0 114.203 -175.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -70.62 -29.94 66.46 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 40.5 t -46.7 -65.62 0.53 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.6 1.56 . . . . 0.0 111.747 -178.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 58.3 mt -53.03 -38.28 62.27 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.142 1.377 . . . . 0.0 113.617 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -63.57 -51.61 64.64 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.52 0.6 . . . . 0.0 109.73 176.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 11.3 mm -58.15 -46.27 88.46 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-O 118.863 -0.589 . . . . 0.0 110.88 177.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -51.25 -44.66 61.8 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 119.742 1.155 . . . . 0.0 111.771 176.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 53.8 t60 -68.4 -36.51 79.22 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.931 0.892 . . . . 0.0 112.837 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -68.54 -41.28 80.08 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.506 1.523 . . . . 0.0 111.475 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 20.5 mt -56.05 -40.31 73.32 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.288 1.435 . . . . 0.0 111.886 176.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 176.892 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 CA--C 1.542 0.669 0 CA-C-O 120.904 0.383 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -145.55 117.74 5.17 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 125.131 1.372 . . . . 0.0 109.365 176.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -49.1 -32.24 23.53 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.716 2.944 . . . . 0.0 115.978 -178.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -73.62 -16.24 61.24 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.535 1.134 . . . . 0.0 113.035 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -60.03 -25.82 65.61 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 120.119 1.327 . . . . 0.0 113.641 -177.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -68.16 -32.55 72.89 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.557 1.143 . . . . 0.0 111.438 176.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.92 -29.11 55.54 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.42 1.088 . . . . 0.0 111.696 175.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 29.8 t -76.92 -49.97 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.261 1.025 . . . . 0.0 110.484 177.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 51.0 m -52.64 -41.49 63.81 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.091 1.756 . . . . 0.0 114.718 -176.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -66.65 -20.98 66.11 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 10.4 mt -90.26 -55.05 6.66 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 C-N-CA 126.027 1.731 . . . . 0.0 110.043 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 16.1 p90 -150.7 100.06 3.12 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 127.93 2.492 . . . . 0.0 111.787 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -78.37 176.57 9.77 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 123.311 2.674 . . . . 0.0 112.154 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -67.02 -29.77 69.68 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.287 -0.883 . . . . 0.0 112.889 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 20.4 m -72.66 -46.53 53.42 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.821 1.785 . . . . 0.0 115.821 -176.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 35.0 m -143.77 162.05 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 124.657 1.183 . . . . 0.0 113.87 -175.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 48.6 tpp -80.5 64.5 5.32 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.922 1.289 . . . . 0.0 110.669 175.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 50.4 tp -56.45 -24.83 48.11 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.839 1.255 . . . . 0.0 113.068 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.04 -18.87 38.69 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.439 1.096 . . . . 0.0 113.55 175.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 2.6 p -72.5 -16.15 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.183 0.902 . . . . 0.0 112.617 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -125.16 -22.79 4.32 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.306 1.442 . . . . 0.0 114.101 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -72.19 155.72 39.93 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.304 1.042 . . . . 0.0 111.994 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -138.73 92.83 0.2 Allowed Glycine 0 CA--C 1.532 1.133 0 C-N-CA 125.813 1.673 . . . . 0.0 112.114 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 74.0 mt -62.07 119.6 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.292 1.437 . . . . 0.0 110.239 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -80.19 64.84 5.14 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.184 1.394 . . . . 0.0 111.974 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 67.2 tp . . . . . 0 N--CA 1.475 0.802 0 C-N-CA 126.392 1.877 . . . . 0.0 114.279 -179.388 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.48 -42.31 92.37 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.755 1.222 . . . . 0.0 110.71 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 75.0 m -59.81 -47.93 83.73 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.922 0.889 . . . . 0.0 111.225 177.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 49.9 mt -55.51 -60.69 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 125.383 1.473 . . . . 0.0 110.531 177.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -61.42 -36.02 79.17 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.066 1.135 . . . . 0.0 114.066 -178.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -60.8 -55.66 30.43 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.333 1.053 . . . . 0.0 110.146 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 27.3 t -56.09 -38.5 70.79 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 122.984 0.514 . . . . 0.0 111.668 176.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 46.4 mt -60.57 -30.9 47.67 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 C-N-CA 123.911 0.884 . . . . 0.0 112.333 175.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -63.36 -45.9 89.03 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 120.717 1.599 . . . . 0.0 110.223 174.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 22.6 m -61.32 -39.36 90.21 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.808 1.243 . . . . 0.0 111.357 176.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.62 -52.65 63.5 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.214 1.406 . . . . 0.0 110.755 176.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 86.4 t -56.8 -49.55 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-O 118.705 -0.664 . . . . 0.0 109.968 176.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 30.3 t60 -52.53 -57.1 11.01 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.764 0.825 . . . . 0.0 110.535 176.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -55.5 -31.41 62.02 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 87.2 m -76.14 -14.48 60.17 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -120.04 -12.87 9.06 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 8.8 t -61.75 107.3 0.8 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.113 1.765 . . . . 0.0 112.261 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -3.2 20.98 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 -177.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 31.6 t30 -136.4 109.31 7.62 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.611 1.096 . . . . 0.0 112.084 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -57.85 -16.25 11.13 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -88.56 3.53 50.03 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.906 1.683 . . . . 0.0 113.543 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 49.7 t -46.71 124.68 6.33 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.018 2.127 . . . . 0.0 111.542 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 16.4 m -74.79 -2.65 27.58 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 116.395 1.998 . . . . 0.0 116.395 -174.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 12.5 tp -64.96 132.08 95.38 Favored Pre-proline 0 CA--C 1.546 0.789 0 CA-C-N 120.805 1.639 . . . . 0.0 109.294 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -63.51 -35.9 57.41 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 121.959 1.773 . . . . 0.0 113.159 -176.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 16.5 p -72.2 -44.04 63.58 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.803 1.241 . . . . 0.0 113.144 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 43.7 t -57.2 -44.31 83.54 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.481 1.512 . . . . 0.0 113.172 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -61.81 -52.32 64.68 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.587 1.555 . . . . 0.0 110.83 -177.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -62.4 -50.97 69.41 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.179 1.392 . . . . 0.0 110.655 175.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 63.0 tpp -52.72 -42.73 65.14 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.385 1.074 . . . . 0.0 111.666 177.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -51.95 -42.72 63.07 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.489 1.116 . . . . 0.0 112.983 176.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -60.32 -43.28 96.54 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 119.66 1.118 . . . . 0.0 111.496 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 1.7 t -68.22 -44.16 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.053 0.941 . . . . 0.0 110.962 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 55.4 t -59.09 -44.06 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.757 1.223 . . . . 0.0 110.294 176.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -66.59 -25.96 66.87 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.972 1.309 . . . . 0.0 112.669 176.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 7.3 t60 -69.91 -66.63 0.57 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.897 0.879 . . . . 0.0 109.779 176.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 6.0 t -55.7 -36.35 67.07 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -174.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -66.4 -14.03 61.54 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -134.87 3.39 4.16 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 125.067 1.318 . . . . 0.0 116.093 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 49.7 t -57.81 130.04 44.64 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.031 1.416 . . . . 0.0 112.804 -178.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 99.2 mttt -72.81 -8.17 54.2 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.71 1.604 . . . . 0.0 112.998 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -118.71 -56.28 2.13 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.515 1.926 . . . . 0.0 111.719 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1812 ' ' LYS . . . . . 0.423 ' HG2' ' H ' ' A' 1813 ' ' THR . 33.6 tttt 54.05 -174.17 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 127.439 2.295 . . . . 0.0 113.54 -177.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1813 ' ' THR . . . . . 0.423 ' H ' ' HG2' ' A' 1812 ' ' LYS . 40.0 p -58.56 -30.1 66.89 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 120.514 -1.366 . . . . 0.0 112.807 177.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -59.5 -40.09 85.93 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.923 1.289 . . . . 0.0 112.02 176.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -93.06 -6.44 63.24 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.096 1.331 . . . . 0.0 114.116 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 97.69 15.16 38.04 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.647 1.594 . . . . 0.0 116.219 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 20.6 t -56.97 119.49 30.96 Favored Pre-proline 0 CA--C 1.552 1.046 0 CA-C-N 119.432 1.616 . . . . 0.0 111.91 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -65.53 -38.82 23.76 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.008 2.472 . . . . 0.0 113.998 -177.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 59.2 t -55.94 -58.02 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-N 119.642 1.11 . . . . 0.0 110.231 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 37.4 m -53.05 -46.17 68.41 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.884 1.674 . . . . 0.0 110.742 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.65 -43.46 72.36 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.868 0.867 . . . . 0.0 112.067 177.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -60.41 -42.97 97.1 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.437 1.017 . . . . 0.0 111.566 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 8.1 mt -66.59 -53.33 35.53 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.037 0.535 . . . . 0.0 111.488 176.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 34.4 mm -57.73 -35.1 49.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 123.998 0.919 . . . . 0.0 112.084 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -58.36 -52.16 66.76 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 119.503 1.047 . . . . 0.0 111.341 175.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 4.6 mp -68.01 -36.26 79.67 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.725 0.81 . . . . 0.0 111.848 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 84.7 m -60.27 -42.31 95.13 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.173 0.897 . . . . 0.0 110.352 172.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 49.0 t -63.92 -49.39 72.8 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.682 1.193 . . . . 0.0 111.141 177.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 29.1 t80 -57.11 -44.81 83.61 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.954 -0.466 . . . . 0.0 111.355 176.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 45.6 t60 -57.97 -57.19 13.9 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.095 0.958 . . . . 0.0 110.336 175.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -54.47 -30.01 51.75 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.565 1.546 . . . . 0.0 114.574 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -55.35 -50.79 68.76 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.713 1.605 . . . . 0.0 110.889 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -90.15 -25.91 20.44 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.651 1.58 . . . . 0.0 114.73 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1834 ' ' CYS . . . . . 0.44 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 9.6 t -62.21 144.1 55.94 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.001 0.92 . . . . 0.0 113.156 -177.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -132.29 -1.36 3.59 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.531 1.933 . . . . 0.0 113.787 -176.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -77.01 115.24 16.63 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.7 -1.25 . . . . 0.0 111.273 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -59.7 -21.9 61.25 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -178.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -127.22 32.85 4.99 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.449 1.9 . . . . 0.0 113.545 -177.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 19.3 t -49.27 135.06 16.52 Favored Pre-proline 0 CA--C 1.56 1.336 0 C-N-CA 126.198 1.799 . . . . 0.0 112.589 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -65.08 -21.72 62.72 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 123.589 2.859 . . . . 0.0 115.564 -176.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 93.6 t -69.43 114.47 24.36 Favored Pre-proline 0 N--CA 1.476 0.862 0 C-N-CA 124.782 1.233 . . . . 0.0 109.396 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -52.46 -44.09 49.63 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 123.611 2.874 . . . . 0.0 115.267 -177.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -78.32 -24.91 46.4 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 -177.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 42.6 t -49.83 -67.56 0.25 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.31 1.444 . . . . 0.0 111.843 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 73.9 mt -51.36 -40.02 58.3 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.344 1.858 . . . . 0.0 113.249 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -63.04 -49.51 74.31 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.003 0.921 . . . . 0.0 110.504 176.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 7.5 mm -58.83 -44.71 91.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-O 118.553 -0.737 . . . . 0.0 110.73 174.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1848 ' ' LYS . . . . . 0.44 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 65.0 mttt -52.7 -44.84 66.58 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 120.018 1.281 . . . . 0.0 111.389 176.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 46.7 t60 -60.23 -51.08 71.07 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 122.846 0.458 . . . . 0.0 110.605 175.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -53.44 -45.43 69.47 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.143 0.977 . . . . 0.0 111.724 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 5.1 mp -57.61 -47.2 82.83 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.831 1.652 . . . . 0.0 111.841 176.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 . . . . . 0 N--CA 1.48 1.031 0 C-N-CA 124.225 1.01 . . . . 0.0 113.661 177.37 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 CA--C 1.541 0.598 0 CA-C-O 121.229 0.538 . . . . 0.0 111.708 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -157.65 117.61 1.95 Allowed Pre-proline 0 CA--C 1.543 0.693 0 C-N-CA 126.301 1.84 . . . . 0.0 109.183 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -48.33 -32.93 21.07 Favored 'Trans proline' 0 CA--C 1.537 0.645 0 C-N-CA 123.544 2.829 . . . . 0.0 115.847 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -70.66 -20.06 62.74 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.174 0.989 . . . . 0.0 113.175 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -61.15 -28.01 68.8 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.278 0.945 . . . . 0.0 112.409 -177.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -61.37 -37.66 84.18 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.36 1.464 . . . . 0.0 111.074 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.01 -32.41 24.94 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.926 1.29 . . . . 0.0 112.764 177.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 79.1 t -67.84 -46.04 83.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.219 1.008 . . . . 0.0 110.35 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 32.0 t -46.95 -51.04 17.93 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.9 2.08 . . . . 0.0 114.654 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -64.15 -22.3 66.88 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 17.3 mt -90.08 -54.59 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.704 1.602 . . . . 0.0 109.978 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -153.61 99.32 2.62 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 128.395 2.678 . . . . 0.0 111.474 178.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -80.3 167.44 19.48 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 123.166 2.577 . . . . 0.0 111.765 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -60.77 -20.09 60.68 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 59.6 p -87.27 -19.26 28.54 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 p -156.39 150.69 9.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 120.512 1.506 . . . . 0.0 114.515 -177.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.65 33.01 0.08 Allowed 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 127.263 2.225 . . . . 0.0 112.94 173.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 51.7 tp -40.17 -24.63 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 127.471 2.309 . . . . 0.0 116.131 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.85 -28.7 16.78 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.653 1.181 . . . . 0.0 112.987 173.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.92 -14.76 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.593 1.157 . . . . 0.0 113.159 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -114.24 -30.33 6.65 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.13 1.772 . . . . 0.0 112.927 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -66.44 163.71 17.84 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.421 1.888 . . . . 0.0 113.824 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.74 82.25 0.16 Allowed Glycine 0 CA--C 1.533 1.175 0 C-N-CA 125.947 1.737 . . . . 0.0 111.889 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 80.2 mt -55.6 127.74 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.883 1.673 . . . . 0.0 111.528 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -75.06 65.63 1.51 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.843 1.657 . . . . 0.0 113.589 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 65.5 tp . . . . . 0 CA--C 1.548 0.869 0 O-C-N 121.127 -0.983 . . . . 0.0 112.082 175.542 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.55 -34.97 79.1 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.948 1.299 . . . . 0.0 112.638 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 79.3 p -63.63 -44.19 94.61 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.098 0.863 . . . . 0.0 111.368 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 73.5 mt -54.81 -63.72 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 125.862 1.665 . . . . 0.0 110.332 176.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -59.44 -36.12 75.32 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -66.41 -51.29 58.48 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 118.987 0.812 . . . . 0.0 110.778 175.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 28.5 t -57.12 -36.87 71.19 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.341 0.656 . . . . 0.0 111.373 176.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 42.3 mt -59.51 -30.11 43.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 121.032 -1.043 . . . . 0.0 112.426 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -62.84 -47.63 82.56 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 120.455 1.48 . . . . 0.0 109.947 174.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 22.0 m -58.81 -41.19 86.21 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.343 1.457 . . . . 0.0 111.243 174.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 5.3 tt -59.42 -52.58 65.01 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.223 1.809 . . . . 0.0 110.45 177.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 83.9 t -56.74 -49.61 77.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.948 0.899 . . . . 0.0 110.416 176.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 22.3 t60 -52.01 -56.87 11.62 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.918 0.781 . . . . 0.0 110.724 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -55.96 -30.15 61.28 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 89.5 m -78.51 -14.13 59.5 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 177.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -119.46 -11.37 9.5 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.603 1.335 . . . . 0.0 114.603 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 8.2 t -59.49 123.73 17.78 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.67 1.588 . . . . 0.0 112.601 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -76.85 -5.87 50.12 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.718 2.007 . . . . 0.0 115.794 -177.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 37.8 t30 -135.9 112.72 10.21 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.031 1.332 . . . . 0.0 112.457 -177.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -58.69 -16.31 15.82 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.69 1.366 . . . . 0.0 114.69 178.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -92.52 0.23 57.41 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.989 1.716 . . . . 0.0 114.432 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 49.1 t -44.93 110.72 0.25 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.906 2.082 . . . . 0.0 112.904 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 99.3 p -72.38 -0.96 13.79 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 -175.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 19.2 tp -61.36 124.43 80.7 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 125.257 1.423 . . . . 0.0 110.467 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -47.55 -42.24 29.25 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 123.498 2.798 . . . . 0.0 114.287 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 33.7 m -58.0 -53.06 62.45 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.574 1.55 . . . . 0.0 112.005 176.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 4.3 t -63.09 -51.52 66.26 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.16 1.784 . . . . 0.0 110.578 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -48.27 -56.33 8.29 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.193 1.797 . . . . 0.0 112.179 176.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1798 ' ' LYS . . . . . 0.424 ' HZ1' ' HB2' ' B' ' 59' ' ' GLU . 82.3 mttt -60.2 -44.03 95.45 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.213 1.005 . . . . 0.0 111.736 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 14.6 mmt -62.25 -43.47 98.75 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 176.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -47.48 -40.76 19.16 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.368 1.067 . . . . 0.0 112.485 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -61.76 -58.88 6.3 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.179 0.992 . . . . 0.0 111.923 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 19.4 m -63.31 -39.02 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 118.728 0.695 . . . . 0.0 112.598 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 46.2 t -59.22 -49.61 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.826 1.25 . . . . 0.0 110.458 175.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -62.01 -31.68 72.08 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.927 0.891 . . . . 0.0 112.208 176.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.7 t60 -68.96 -63.63 1.02 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.611 0.764 . . . . 0.0 110.82 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 13.0 t -54.79 -31.02 58.4 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 114.673 1.361 . . . . 0.0 114.673 -176.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -77.61 -11.59 59.88 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -134.27 -1.94 3.45 Favored Glycine 0 CA--C 1.538 1.522 0 N-CA-C 117.095 1.598 . . . . 0.0 117.095 -176.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 43.4 t -55.34 136.97 48.76 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.396 1.598 . . . . 0.0 112.331 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -72.24 -11.67 60.82 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.654 1.581 . . . . 0.0 114.136 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -135.21 -32.23 0.95 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 27.6 mtpp 53.61 -168.14 0.06 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.115 1.766 . . . . 0.0 113.611 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 20.2 p -57.96 -32.27 67.69 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.728 1.211 . . . . 0.0 112.145 175.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -58.26 -42.51 86.62 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.1 1.36 . . . . 0.0 111.809 176.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -88.24 -3.44 78.88 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 125.46 1.505 . . . . 0.0 113.955 176.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 93.01 17.91 41.97 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.729 1.633 . . . . 0.0 116.71 176.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 8.1 t -58.84 116.68 16.39 Favored Pre-proline 0 CA--C 1.552 1.026 0 CA-C-N 119.758 1.779 . . . . 0.0 112.744 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -57.45 -42.81 57.51 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 123.207 2.605 . . . . 0.0 113.795 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 59.5 t -55.16 -59.02 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.842 1.257 . . . . 0.0 110.694 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 21.3 m -52.71 -48.72 66.44 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.555 1.542 . . . . 0.0 110.138 177.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1821 ' ' LYS . . . . . 0.416 ' O ' ' HE2' ' A' 1821 ' ' LYS . 0.0 OUTLIER -53.96 -46.36 71.59 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.345 1.058 . . . . 0.0 111.699 177.317 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -60.97 -42.16 97.8 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.322 0.964 . . . . 0.0 111.97 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.62 -50.01 66.61 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.561 0.619 . . . . 0.0 111.072 177.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 41.1 mm -61.18 -32.39 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 124.564 1.146 . . . . 0.0 112.0 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -57.25 -48.17 79.54 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 120.015 1.279 . . . . 0.0 111.239 175.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 6.7 mp -68.66 -39.61 80.57 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.186 0.994 . . . . 0.0 111.207 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 73.4 m -59.69 -38.05 80.5 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 118.877 0.762 . . . . 0.0 110.642 173.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 24.3 t -66.52 -50.67 62.42 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.952 1.301 . . . . 0.0 111.216 176.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 44.5 t80 -55.81 -46.36 78.07 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.258 0.623 . . . . 0.0 110.621 175.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 43.6 t60 -56.74 -63.83 1.07 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.426 1.09 . . . . 0.0 110.05 175.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -50.14 -42.15 50.2 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.762 1.625 . . . . 0.0 114.564 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -56.52 -45.68 80.97 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.509 1.924 . . . . 0.0 111.589 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -90.1 -17.79 27.06 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1834 ' ' CYS . . . . . 0.439 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 11.4 t -68.83 165.1 20.47 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.061 1.745 . . . . 0.0 112.863 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.05 -4.25 0.42 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.005 1.722 . . . . 0.0 115.109 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -74.64 120.0 19.59 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 120.825 -1.172 . . . . 0.0 111.554 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -62.16 -23.51 66.64 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -127.12 33.99 4.81 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 126.686 1.995 . . . . 0.0 113.305 -177.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 10.4 t -49.71 134.35 19.93 Favored Pre-proline 0 CA--C 1.559 1.315 0 C-N-CA 126.135 1.774 . . . . 0.0 112.541 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -65.86 -22.34 56.44 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 123.625 2.883 . . . . 0.0 115.62 -176.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 82.0 t -66.85 115.53 25.9 Favored Pre-proline 0 N--CA 1.477 0.875 0 C-N-CA 124.534 1.133 . . . . 0.0 109.566 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -51.42 -46.42 31.62 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.747 2.965 . . . . 0.0 115.289 -177.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -76.12 -28.51 57.49 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 114.633 1.345 . . . . 0.0 114.633 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 42.4 t -45.84 -67.77 0.25 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.87 1.668 . . . . 0.0 112.3 -177.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 59.6 mt -54.39 -35.59 63.01 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.337 1.455 . . . . 0.0 113.489 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -64.56 -51.12 64.42 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.683 0.674 . . . . 0.0 110.004 175.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 10.0 mm -56.87 -45.82 83.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.754 176.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1848 ' ' LYS . . . . . 0.439 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 67.9 mttt -53.14 -45.46 68.41 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 120.164 1.347 . . . . 0.0 111.657 176.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 56.5 t60 -61.96 -49.87 74.39 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.281 0.633 . . . . 0.0 110.8 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -54.96 -41.23 70.87 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.084 1.354 . . . . 0.0 111.661 176.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.7 mp -63.94 -43.1 96.89 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.659 1.584 . . . . 0.0 111.606 175.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.938 0 C-N-CA 124.528 1.131 . . . . 0.0 113.184 176.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 CA--C 1.544 0.733 0 CA-C-O 120.832 0.349 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -145.9 121.19 5.61 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 125.586 1.555 . . . . 0.0 109.392 177.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -50.6 -30.62 28.93 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 123.539 2.826 . . . . 0.0 115.966 -178.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -77.26 -16.45 59.0 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.549 1.14 . . . . 0.0 113.626 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.424 ' HB2' ' HZ1' ' A' 1798 ' ' LYS . 6.4 pt-20 -59.31 -32.74 70.34 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -175.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -62.0 -33.07 73.65 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.565 1.146 . . . . 0.0 111.659 178.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.69 -22.82 53.41 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.269 1.028 . . . . 0.0 112.421 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 12.2 t -80.64 -48.65 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 123.891 0.876 . . . . 0.0 109.754 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 65.6 m -49.74 -45.37 49.28 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.18 1.792 . . . . 0.0 114.619 -178.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -64.87 -23.64 67.29 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 10.2 mt -90.14 -55.65 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 126.266 1.826 . . . . 0.0 110.617 176.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -151.09 101.15 3.01 Favored Pre-proline 0 CA--C 1.549 0.916 0 C-N-CA 127.983 2.513 . . . . 0.0 111.392 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -74.52 174.03 13.3 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 122.811 2.34 . . . . 0.0 111.665 177.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -73.32 -18.75 61.16 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 120.923 -1.111 . . . . 0.0 113.154 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 26.9 p -74.57 -51.56 14.27 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.412 1.885 . . . . 0.0 113.876 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 29.0 m -138.71 154.71 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.668 1.587 . . . . 0.0 112.399 -178.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 67.8 mtp -83.08 66.59 8.75 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.492 -0.755 . . . . 0.0 111.257 176.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 32.5 tp -52.16 -22.08 3.92 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.493 1.917 . . . . 0.0 113.363 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.82 -23.27 17.48 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.049 1.34 . . . . 0.0 113.133 174.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 4.6 p -67.92 -17.46 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.481 1.112 . . . . 0.0 112.911 176.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -126.69 -16.96 5.12 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.326 1.45 . . . . 0.0 114.426 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -71.48 160.03 33.45 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.971 1.308 . . . . 0.0 112.413 177.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -144.97 87.14 0.17 Allowed Glycine 0 CA--C 1.534 1.242 0 C-N-CA 125.692 1.615 . . . . 0.0 112.14 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 85.4 mt -60.81 125.68 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.895 1.678 . . . . 0.0 111.293 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -81.35 65.8 6.63 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.123 1.369 . . . . 0.0 111.913 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 64.6 tp . . . . . 0 CA--C 1.547 0.845 0 C-N-CA 126.283 1.833 . . . . 0.0 114.043 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 120.446 0.165 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.75 -42.72 94.94 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.364 1.466 . . . . 0.0 110.631 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 73.8 m -59.17 -52.75 64.37 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.659 0.663 . . . . 0.0 110.433 176.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 40.8 mt -52.31 -58.43 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 125.232 1.413 . . . . 0.0 111.289 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -62.23 -40.41 96.04 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -178.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 84.5 mmt-85 -58.75 -45.52 89.55 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 119.831 1.196 . . . . 0.0 111.215 176.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 62.1 m -62.9 -33.15 74.7 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.685 -0.635 . . . . 0.0 111.383 175.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 54.6 mt -69.89 -35.4 64.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.325 1.05 . . . . 0.0 111.82 175.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -59.42 -44.94 92.78 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.461 1.482 . . . . 0.0 109.553 172.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 31.3 t -60.33 -44.85 95.11 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.048 0.939 . . . . 0.0 111.428 174.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 58.1 tp -55.27 -53.43 56.24 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.187 1.395 . . . . 0.0 111.105 177.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 86.4 t -56.08 -51.14 65.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.694 178.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 32.1 t60 -52.43 -57.75 8.88 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.85 0.75 . . . . 0.0 110.929 177.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -56.3 -31.08 63.34 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 87.1 m -77.33 -13.39 59.94 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 177.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -119.34 -14.5 9.2 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 9.2 t -61.76 114.68 3.45 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.856 1.662 . . . . 0.0 112.056 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -70.79 -6.27 36.47 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.75 2.02 . . . . 0.0 116.094 -177.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 32.4 t30 -136.12 111.96 9.5 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.476 1.111 . . . . 0.0 112.402 -177.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.35 -15.56 17.16 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 177.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -92.15 6.97 44.58 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.307 1.843 . . . . 0.0 113.681 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 52.9 t -45.2 129.52 7.88 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.868 2.067 . . . . 0.0 112.147 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 15.7 m -68.41 -8.65 42.35 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 116.213 1.931 . . . . 0.0 116.213 -174.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 13.3 tp -74.53 128.04 86.4 Favored Pre-proline 0 CA--C 1.549 0.92 0 CA-C-N 120.132 1.333 . . . . 0.0 112.035 -177.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -54.24 -43.83 54.98 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.702 2.268 . . . . 0.0 113.023 177.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 16.1 m -61.63 -48.54 80.42 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.065 1.346 . . . . 0.0 112.021 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 34.7 t -56.73 -54.23 48.67 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.154 1.382 . . . . 0.0 109.765 177.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -50.83 -55.09 18.56 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.243 1.417 . . . . 0.0 111.988 176.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -56.38 -49.7 73.69 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.698 1.199 . . . . 0.0 112.15 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 49.3 tpp -61.28 -43.94 98.05 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.669 1.188 . . . . 0.0 112.64 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -50.77 -44.53 58.73 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.442 1.497 . . . . 0.0 113.032 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.58 -47.42 79.58 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.673 0.789 . . . . 0.0 111.732 177.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 1.8 t -69.0 -41.26 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 123.704 0.802 . . . . 0.0 111.676 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 40.8 t -57.01 -47.52 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.795 0.838 . . . . 0.0 109.429 174.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -67.4 -27.87 67.44 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.454 0.702 . . . . 0.0 112.811 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.8 t60 -65.51 -64.69 0.8 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.035 0.834 . . . . 0.0 109.028 173.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 12.2 t -56.75 -31.78 64.92 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -178.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -60.46 -27.2 67.35 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.036 1.734 . . . . 0.0 113.883 176.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -130.53 -1.95 5.03 Favored Glycine 0 CA--C 1.538 1.525 0 N-CA-C 117.453 1.741 . . . . 0.0 117.453 -177.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 49.9 t -55.45 128.14 32.93 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.633 1.716 . . . . 0.0 113.263 -178.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 23.2 tptm -71.87 -16.55 62.14 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.151 1.78 . . . . 0.0 112.708 178.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 58.2 ttm-85 -108.69 -57.26 2.16 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.994 1.718 . . . . 0.0 112.92 -178.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1812 ' ' LYS . . . . . . . . . . . . 0.28 19.0 ptmt 49.07 -170.47 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 128.199 2.6 . . . . 0.0 114.777 -175.185 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 10.4 p -53.62 -39.63 65.08 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.956 1.302 . . . . 0.0 112.622 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 30.0 t30 -54.82 -34.34 62.67 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.592 1.557 . . . . 0.0 112.99 176.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -104.19 6.65 46.88 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 126.139 1.828 . . . . 0.0 114.296 178.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 84.54 16.03 67.13 Favored Glycine 0 CA--C 1.538 1.47 0 N-CA-C 116.866 1.506 . . . . 0.0 116.866 178.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 18.3 t -59.32 114.93 10.45 Favored Pre-proline 0 CA--C 1.555 1.154 0 CA-C-N 119.726 1.763 . . . . 0.0 112.128 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -58.81 -43.7 41.87 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.106 2.538 . . . . 0.0 113.867 -179.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 52.9 t -54.85 -57.24 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 124.515 1.126 . . . . 0.0 111.404 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 41.7 m -54.87 -48.79 72.51 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.322 1.449 . . . . 0.0 111.142 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.09 -50.21 71.66 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.091 1.356 . . . . 0.0 110.897 176.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -56.8 -44.85 82.33 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.28 1.032 . . . . 0.0 111.575 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.5 -53.07 61.23 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.156 0.889 . . . . 0.0 110.367 176.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 39.6 mt -58.09 -29.34 36.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 126.106 1.763 . . . . 0.0 113.105 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -55.35 -46.75 76.42 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 120.041 1.291 . . . . 0.0 111.791 176.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.53 -38.41 80.84 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.779 1.232 . . . . 0.0 110.804 176.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 68.0 m -59.71 -41.85 91.73 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.865 0.757 . . . . 0.0 111.016 174.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 94.6 m -63.12 -49.82 72.91 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.313 1.045 . . . . 0.0 111.363 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 40.1 t80 -58.96 -45.5 90.34 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.949 0.499 . . . . 0.0 111.12 176.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 39.5 t60 -56.34 -60.54 3.37 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.319 1.048 . . . . 0.0 110.535 176.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -52.21 -38.69 58.7 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.459 1.504 . . . . 0.0 114.677 -178.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -56.98 -44.32 82.55 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.43 1.492 . . . . 0.0 111.36 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -90.09 -20.32 23.3 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1834 ' ' CYS . . . . . 0.471 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 11.4 t -67.55 165.02 17.73 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.516 1.526 . . . . 0.0 113.319 -179.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -149.79 -5.2 0.36 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.119 1.768 . . . . 0.0 115.308 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -75.69 111.17 10.75 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 120.739 -1.225 . . . . 0.0 111.42 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -59.09 -11.35 3.51 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -134.04 28.64 3.8 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 127.168 2.187 . . . . 0.0 112.963 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 12.8 t -47.94 135.51 11.22 Favored Pre-proline 0 CA--C 1.559 1.313 0 C-N-CA 126.612 1.965 . . . . 0.0 113.109 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -65.59 -23.44 57.04 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 123.729 2.953 . . . . 0.0 115.651 -176.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 74.5 t -64.99 116.18 27.58 Favored Pre-proline 0 N--CA 1.476 0.87 0 C-N-CA 124.65 1.18 . . . . 0.0 109.954 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -48.48 -50.33 12.53 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 124.34 3.36 . . . . 0.0 116.164 -176.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -77.91 -24.65 48.27 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 47.1 t -43.33 -68.33 0.2 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.117 1.767 . . . . 0.0 113.168 -176.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 55.3 mt -54.39 -35.62 63.05 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.376 1.47 . . . . 0.0 113.816 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 49.2 t30 -64.25 -49.25 72.63 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.999 0.919 . . . . 0.0 110.126 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 15.0 mm -58.93 -48.66 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 O-C-N 121.751 -0.593 . . . . 0.0 110.582 175.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1848 ' ' LYS . . . . . 0.471 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 70.0 mttt -51.2 -47.79 62.17 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.201 0.909 . . . . 0.0 111.037 177.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 61.2 t60 -56.07 -51.87 66.3 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.507 0.723 . . . . 0.0 110.436 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -55.47 -43.74 75.78 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 118.811 0.732 . . . . 0.0 111.762 176.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 6.2 mp -60.67 -37.15 80.61 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.262 1.425 . . . . 0.0 112.229 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 42.8 mmt-85 . . . . . 0 N--CA 1.48 1.04 0 CA-C-N 119.486 1.039 . . . . 0.0 113.043 175.798 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 CA--C 1.541 0.61 0 CA-C-O 121.182 0.515 . . . . 0.0 112.058 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -156.38 136.56 8.69 Favored Pre-proline 0 CA--C 1.544 0.732 0 C-N-CA 126.209 1.803 . . . . 0.0 110.475 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -64.43 -20.32 66.07 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 122.414 2.076 . . . . 0.0 114.912 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -79.59 -23.12 42.94 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.146 0.884 . . . . 0.0 113.129 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -60.74 -29.36 69.33 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -177.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.69 -45.72 92.8 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.335 1.054 . . . . 0.0 111.306 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.48 -45.75 68.25 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.598 0.759 . . . . 0.0 111.103 176.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 63.3 t -59.26 -40.94 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.67 0.788 . . . . 0.0 111.954 177.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 20.2 t -49.47 -48.78 47.49 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.157 1.783 . . . . 0.0 114.537 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -64.92 -19.6 66.02 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 12.1 mt -90.03 -57.76 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.482 1.513 . . . . 0.0 109.801 175.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.8 p90 -150.24 101.11 3.17 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 127.673 2.389 . . . . 0.0 111.842 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -77.37 173.78 13.76 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 122.656 2.237 . . . . 0.0 110.75 176.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -67.76 -24.82 65.39 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.497 -1.377 . . . . 0.0 113.413 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 23.0 m -69.92 -45.54 67.31 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 -177.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 27.1 m -146.39 159.93 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 125.063 1.345 . . . . 0.0 113.316 -176.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 57.7 tpp -80.18 63.29 4.63 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.627 1.171 . . . . 0.0 110.335 174.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 41.3 tp -53.04 -25.85 13.81 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.753 1.621 . . . . 0.0 113.649 -177.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.76 -22.54 24.69 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.274 1.429 . . . . 0.0 113.802 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.6 p -70.15 -19.4 22.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.621 1.168 . . . . 0.0 112.742 177.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -131.11 -4.27 3.92 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -176.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -129.24 141.26 51.18 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.292 1.437 . . . . 0.0 111.896 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -97.12 -179.63 34.16 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.624 1.583 . . . . 0.0 114.08 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 75.6 mt -117.43 149.13 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.41 1.484 . . . . 0.0 111.22 -178.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -61.45 0.65 0.28 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 128.823 2.849 . . . . 0.0 116.803 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 35.1 tp . . . . . 0 CA--C 1.549 0.93 0 C-N-CA 126.491 1.916 . . . . 0.0 114.365 179.495 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 74.9 ttt-85 . . . . . 0 N--CA 1.477 0.895 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.9 mp -67.17 -46.49 73.81 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.79 1.236 . . . . 0.0 111.113 177.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 68.5 m -58.2 -46.55 85.62 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.827 0.74 . . . . 0.0 111.246 178.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 55.3 mt -55.67 -63.43 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 126.122 1.769 . . . . 0.0 110.545 177.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -61.3 -36.26 79.62 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -177.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -62.81 -53.4 54.82 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.061 0.944 . . . . 0.0 110.517 176.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 18.3 t -58.81 -33.81 70.8 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.227 0.611 . . . . 0.0 112.162 177.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 41.4 mt -64.45 -28.62 45.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 O-C-N 121.168 -0.957 . . . . 0.0 112.086 176.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -63.05 -46.37 87.8 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 120.353 1.433 . . . . 0.0 109.638 174.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 4.3 m -59.51 -40.8 88.26 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.944 1.698 . . . . 0.0 111.327 175.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 63.8 tp -59.28 -54.97 40.72 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.314 1.446 . . . . 0.0 110.529 176.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 94.8 t -55.03 -50.17 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 CA-C-O 118.566 -0.73 . . . . 0.0 110.429 177.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 33.9 t60 -53.32 -58.67 6.28 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.479 0.712 . . . . 0.0 111.285 177.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -56.33 -28.7 59.81 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 96.5 m -78.73 -13.0 60.05 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 177.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -119.99 -12.77 9.09 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.087 1.355 . . . . 0.0 114.29 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 11.6 t -65.04 122.36 16.85 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.628 1.571 . . . . 0.0 111.619 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -74.9 -8.97 58.04 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.329 1.852 . . . . 0.0 115.387 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 31.8 t30 -136.76 113.47 10.26 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.877 1.217 . . . . 0.0 113.131 -176.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.49 -15.41 17.54 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -93.0 8.6 39.21 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 126.44 1.896 . . . . 0.0 113.61 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 51.6 t -45.08 135.75 5.3 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 127.462 2.305 . . . . 0.0 112.686 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 84.7 p -74.24 -10.92 60.08 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -176.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 26.3 tp -72.38 120.77 82.33 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 124.575 1.15 . . . . 0.0 112.012 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.67 -39.7 75.48 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.898 2.399 . . . . 0.0 113.348 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 15.0 m -58.09 -47.6 82.7 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.272 1.429 . . . . 0.0 112.061 178.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 20.9 t -61.37 -54.17 47.17 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.161 1.784 . . . . 0.0 109.5 176.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -50.32 -55.09 17.04 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.498 1.519 . . . . 0.0 112.547 177.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 89.4 mttt -57.94 -49.46 76.69 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.915 0.886 . . . . 0.0 111.862 177.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 44.8 tpp -59.67 -38.37 81.29 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.97 0.908 . . . . 0.0 113.0 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -53.45 -31.11 43.98 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 118.035 -0.983 . . . . 0.0 113.441 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -59.21 -61.81 2.36 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.903 1.229 . . . . 0.0 111.676 177.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 26.7 m -63.83 -33.81 64.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 46.4 t -62.2 -48.65 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.957 0.903 . . . . 0.0 109.932 175.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 66.8 mm-40 -62.78 -30.05 71.17 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.686 1.194 . . . . 0.0 112.252 175.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 11.6 t60 -69.3 -66.05 0.63 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.57 0.748 . . . . 0.0 110.411 175.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 5.1 t -55.36 -33.74 63.68 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -174.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -70.54 -14.26 62.43 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 177.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -128.96 -8.65 3.68 Favored Glycine 0 CA--C 1.538 1.505 0 N-CA-C 116.499 1.36 . . . . 0.0 116.499 -178.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 40.6 t -57.57 138.71 54.95 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.516 1.526 . . . . 0.0 112.754 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -90.57 -6.73 54.32 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.025 1.73 . . . . 0.0 112.915 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -107.5 -53.9 2.56 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.64 1.576 . . . . 0.0 112.566 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 14.7 mmmm 58.14 179.92 0.06 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.719 2.008 . . . . 0.0 113.385 -178.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 19.6 p -59.63 -29.97 68.39 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 120.627 -1.295 . . . . 0.0 112.159 175.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -58.59 -39.24 79.83 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.063 1.345 . . . . 0.0 111.891 175.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -90.94 -5.24 68.38 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 125.267 1.413 . . . . 0.0 113.733 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 93.3 16.09 48.28 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 125.721 1.629 . . . . 0.0 115.756 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 14.0 t -55.5 113.84 6.28 Favored Pre-proline 0 CA--C 1.553 1.085 0 CA-C-N 119.246 1.523 . . . . 0.0 112.518 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -56.24 -44.54 45.56 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 123.235 2.623 . . . . 0.0 113.891 -178.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 58.8 t -55.56 -58.69 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.368 1.067 . . . . 0.0 111.133 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 39.4 m -53.66 -46.1 70.49 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.013 1.325 . . . . 0.0 110.557 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1821 ' ' LYS . . . . . 0.422 ' O ' ' HE2' ' A' 1821 ' ' LYS . 0.0 OUTLIER -54.61 -45.36 73.66 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.458 1.103 . . . . 0.0 111.675 177.131 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -60.4 -38.72 84.86 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.122 0.874 . . . . 0.0 111.967 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 4.4 mt -66.42 -51.45 56.84 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.862 -0.524 . . . . 0.0 110.721 174.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 23.1 mm -56.32 -37.03 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 123.71 0.804 . . . . 0.0 111.919 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -55.32 -51.63 66.12 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.414 1.006 . . . . 0.0 111.591 176.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 4.1 mp -69.51 -39.17 77.74 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.496 1.118 . . . . 0.0 111.854 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 73.4 m -59.51 -39.79 85.01 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.99 0.814 . . . . 0.0 110.603 174.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 35.1 t -65.74 -50.12 65.94 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.737 1.215 . . . . 0.0 111.123 176.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 37.1 t80 -57.38 -40.61 78.56 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.5 0.591 . . . . 0.0 111.398 176.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 54.2 t60 -61.63 -58.55 7.64 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.973 0.909 . . . . 0.0 110.097 174.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -54.42 -28.58 44.91 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.655 1.582 . . . . 0.0 114.618 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -56.97 -47.46 80.72 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.809 1.644 . . . . 0.0 110.932 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 51.5 m80 -90.11 -29.47 18.3 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.93 2.092 . . . . 0.0 114.34 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1834 ' ' CYS . . . . . 0.464 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 8.1 t -66.54 153.74 42.19 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.189 1.396 . . . . 0.0 113.632 -177.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.82 -2.97 0.8 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.565 1.946 . . . . 0.0 114.775 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -71.57 107.08 4.27 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.316 1.446 . . . . 0.0 111.302 178.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -53.68 -16.2 1.54 Allowed 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 116.811 2.152 . . . . 0.0 116.811 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 47.9 mttp -132.21 32.92 3.92 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.677 1.991 . . . . 0.0 112.857 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 32.5 t -49.56 136.34 17.96 Favored Pre-proline 0 CA--C 1.559 1.307 0 C-N-CA 126.463 1.905 . . . . 0.0 112.211 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -64.7 -24.99 61.64 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 123.366 2.711 . . . . 0.0 115.156 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 97.1 t -65.79 122.82 82.68 Favored Pre-proline 0 N--CA 1.474 0.771 0 CA-C-N 119.332 0.969 . . . . 0.0 109.099 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -64.55 -44.84 10.2 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.829 2.353 . . . . 0.0 114.397 -175.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -72.57 -31.06 64.94 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 47.5 t -43.35 -67.02 0.31 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.529 1.931 . . . . 0.0 112.215 -178.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 63.9 mt -52.99 -36.79 60.77 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.506 1.523 . . . . 0.0 113.896 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -65.44 -48.74 71.68 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.909 0.777 . . . . 0.0 110.17 175.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 11.5 mm -58.61 -46.23 90.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-O 119.163 -0.446 . . . . 0.0 110.284 176.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1848 ' ' LYS . . . . . 0.464 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 68.9 mttt -52.3 -45.56 65.59 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.442 1.019 . . . . 0.0 111.688 176.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 24.2 t60 -58.18 -49.03 78.46 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.881 0.764 . . . . 0.0 110.848 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 7.6 mptt -60.06 -27.9 67.34 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.222 1.809 . . . . 0.0 112.802 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.9 mp -85.45 -49.33 8.18 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.384 1.874 . . . . 0.0 113.434 177.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? . . . . . 0 N--CA 1.476 0.858 0 C-N-CA 123.952 0.901 . . . . 0.0 113.228 -179.093 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 CA--C 1.54 0.577 0 CA-C-O 121.316 0.579 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -158.5 138.96 9.1 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 124.641 1.176 . . . . 0.0 110.845 -178.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -73.3 -17.7 23.97 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.561 2.174 . . . . 0.0 114.779 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -79.96 -33.95 39.14 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -178.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -27.31 61.54 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -177.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -64.4 -43.09 95.52 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.036 1.334 . . . . 0.0 110.971 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.62 -42.48 86.73 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.772 0.829 . . . . 0.0 110.75 175.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 13.7 t -58.09 -44.3 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.313 0.645 . . . . 0.0 110.381 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.2 t -46.89 -49.52 20.19 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.616 1.966 . . . . 0.0 114.6 -178.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -72.75 -15.36 61.66 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 17.8 mt -90.28 -54.73 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.356 1.462 . . . . 0.0 109.486 175.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -154.51 101.11 2.4 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 128.756 2.822 . . . . 0.0 111.947 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -74.45 174.17 13.02 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 122.628 2.219 . . . . 0.0 112.653 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.17 -16.59 62.24 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 -175.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 48.9 m -123.12 0.84 9.12 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 115.632 1.715 . . . . 0.0 115.632 -177.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 9.3 t -140.81 130.33 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 119.734 1.152 . . . . 0.0 111.929 -178.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 52.0 tpp -78.93 51.51 1.14 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.74 1.216 . . . . 0.0 110.292 174.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 51.1 tp -52.1 -25.7 9.38 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 127.365 2.266 . . . . 0.0 113.823 -177.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.46 -18.02 16.28 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.951 1.301 . . . . 0.0 113.527 174.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.7 p -71.3 -17.78 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.491 1.116 . . . . 0.0 112.522 176.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -127.08 -29.78 2.75 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.65 1.58 . . . . 0.0 113.88 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -75.07 147.73 40.37 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.377 1.471 . . . . 0.0 111.21 177.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.65 105.94 0.62 Allowed Glycine 0 CA--C 1.53 1.03 0 C-N-CA 125.171 1.367 . . . . 0.0 112.469 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.63 123.8 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.194 1.398 . . . . 0.0 109.738 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -69.37 31.15 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 127.038 2.135 . . . . 0.0 116.136 -176.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 49.5 tp . . . . . 0 CA--C 1.555 1.14 0 C-N-CA 125.811 1.644 . . . . 0.0 114.805 179.458 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 3.2 mp -65.52 -31.28 72.26 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.199 1.0 . . . . 0.0 111.971 176.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 74.8 m -65.02 -43.99 90.63 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.089 -1.007 . . . . 0.0 111.088 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 84.7 mt -55.34 -60.37 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.321 1.449 . . . . 0.0 111.092 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -60.06 -32.43 70.93 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 13.7 mmp_? -64.76 -51.4 62.46 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.148 0.885 . . . . 0.0 110.229 175.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 68.0 m -59.92 -29.24 68.24 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.174 0.589 . . . . 0.0 112.47 176.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 51.2 mt -67.69 -27.64 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 O-C-N 120.998 -1.064 . . . . 0.0 111.57 176.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -63.97 -43.09 96.8 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.882 1.219 . . . . 0.0 109.224 173.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 3.2 m -59.86 -44.3 94.2 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.708 1.603 . . . . 0.0 111.052 175.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 67.2 tp -58.21 -55.9 28.95 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.23 1.412 . . . . 0.0 110.842 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 86.8 t -54.84 -51.93 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-O 118.485 -0.769 . . . . 0.0 110.515 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 31.5 t60 -52.61 -59.03 4.96 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.6 0.76 . . . . 0.0 110.955 177.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -56.45 -28.58 59.96 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 87.2 m -78.59 -14.93 59.09 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -117.39 -15.73 10.31 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.015 1.326 . . . . 0.0 114.26 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 11.7 t -59.54 119.86 8.32 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.502 1.921 . . . . 0.0 111.655 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -77.58 -5.67 51.04 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.97 1.708 . . . . 0.0 115.412 -176.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 33.0 t30 -136.68 110.3 8.04 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.791 1.236 . . . . 0.0 112.357 -177.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -56.65 -17.57 9.21 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -87.51 -1.13 57.73 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.694 1.598 . . . . 0.0 114.026 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 48.6 t -46.02 111.57 0.38 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.997 2.119 . . . . 0.0 111.858 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 89.1 p -70.21 1.0 5.27 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 116.743 2.127 . . . . 0.0 116.743 -174.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 17.4 tp -62.35 123.11 77.25 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 125.029 1.331 . . . . 0.0 109.995 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -47.71 -41.23 31.22 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.739 2.959 . . . . 0.0 115.374 -177.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 12.0 p -68.21 -48.76 64.32 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.001 1.321 . . . . 0.0 112.401 177.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 11.6 t -58.02 -52.06 67.1 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.662 1.585 . . . . 0.0 110.027 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -46.7 -58.38 3.92 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.959 1.703 . . . . 0.0 111.735 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 91.4 mttt -59.78 -50.21 74.69 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.658 1.183 . . . . 0.0 112.107 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 51.0 tpp -60.69 -39.98 90.49 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.276 1.03 . . . . 0.0 113.359 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -52.44 -42.05 63.81 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.489 1.116 . . . . 0.0 113.131 178.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -58.56 -42.21 87.39 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.615 0.766 . . . . 0.0 111.508 177.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 1.4 t -69.84 -42.44 79.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.235 1.014 . . . . 0.0 111.514 178.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 71.5 t -59.24 -44.15 91.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.104 0.962 . . . . 0.0 109.973 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -65.65 -28.6 69.22 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.493 1.117 . . . . 0.0 112.685 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.5 t60 -71.73 -64.1 1.0 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.088 0.955 . . . . 0.0 110.22 176.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 11.1 t -52.92 -36.22 59.35 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 -176.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -70.26 -13.56 62.22 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -133.39 -1.97 3.78 Favored Glycine 0 CA--C 1.536 1.385 0 N-CA-C 116.496 1.358 . . . . 0.0 116.496 -177.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 45.2 t -56.31 127.0 28.76 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.155 1.477 . . . . 0.0 112.779 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -74.25 -6.37 47.48 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.759 1.624 . . . . 0.0 113.191 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -119.32 -55.17 2.16 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.602 1.961 . . . . 0.0 111.933 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1812 ' ' LYS . . . . . 0.457 ' HG2' ' H ' ' A' 1813 ' ' THR . 21.5 tttm 54.91 -175.31 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 127.653 2.381 . . . . 0.0 113.553 -177.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1813 ' ' THR . . . . . 0.457 ' H ' ' HG2' ' A' 1812 ' ' LYS . 69.4 p -57.59 -34.73 69.56 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 120.565 -1.334 . . . . 0.0 112.601 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -59.09 -40.58 85.7 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.34 1.456 . . . . 0.0 112.304 177.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -88.28 -6.72 74.1 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 124.857 1.218 . . . . 0.0 114.057 177.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 98.04 14.63 38.76 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.535 1.54 . . . . 0.0 116.156 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 23.1 t -56.24 119.86 30.74 Favored Pre-proline 0 CA--C 1.553 1.064 0 CA-C-N 119.495 1.647 . . . . 0.0 111.268 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -67.0 -37.63 18.61 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.562 2.174 . . . . 0.0 113.282 -176.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 72.4 t -58.01 -58.74 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.066 1.347 . . . . 0.0 110.432 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 57.5 m -53.68 -47.26 70.62 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.748 1.219 . . . . 0.0 110.577 177.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.38 -42.43 77.88 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.457 -0.777 . . . . 0.0 112.791 177.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -65.79 -38.17 88.28 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.154 0.888 . . . . 0.0 111.5 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.66 -52.31 61.27 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.63 -0.668 . . . . 0.0 110.069 176.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 31.1 mm -61.39 -32.83 54.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 124.21 1.004 . . . . 0.0 112.3 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -54.67 -43.42 72.42 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 120.358 1.436 . . . . 0.0 111.925 175.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 5.8 mp -72.0 -35.88 69.59 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.264 1.026 . . . . 0.0 111.324 175.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 84.8 m -60.66 -39.87 89.95 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.954 0.797 . . . . 0.0 110.299 173.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 99.7 m -64.12 -51.63 63.02 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.532 1.133 . . . . 0.0 111.426 175.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 34.5 t80 -57.53 -41.59 81.2 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.532 0.606 . . . . 0.0 111.201 176.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 39.9 t60 -60.27 -60.64 3.49 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.077 0.951 . . . . 0.0 110.304 175.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -53.19 -34.04 55.3 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.623 1.569 . . . . 0.0 114.398 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -56.39 -47.84 78.11 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.792 1.637 . . . . 0.0 111.068 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 43.5 m80 -90.07 -20.72 22.85 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.581 1.952 . . . . 0.0 115.195 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1834 ' ' CYS . . . . . 0.414 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 8.9 t -64.77 165.03 11.14 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.953 1.301 . . . . 0.0 113.831 -177.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -147.91 -2.71 0.54 Allowed 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 -178.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -73.5 142.73 46.75 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 120.193 1.36 . . . . 0.0 112.62 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -77.08 -27.23 54.17 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 121.357 -0.84 . . . . 0.0 111.917 177.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 59.2 mtmt -136.52 50.22 2.05 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.579 1.952 . . . . 0.0 112.283 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 8.7 t -52.3 137.92 38.84 Favored Pre-proline 0 CA--C 1.556 1.176 0 C-N-CA 126.238 1.815 . . . . 0.0 111.97 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -64.87 -24.27 61.24 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 122.971 2.447 . . . . 0.0 114.33 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 92.3 t -67.48 121.51 79.27 Favored Pre-proline 0 N--CA 1.475 0.786 0 C-N-CA 124.385 1.074 . . . . 0.0 108.61 176.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -64.36 -40.12 26.36 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.809 2.339 . . . . 0.0 114.736 -174.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -77.73 -29.05 50.99 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 -178.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 50.2 t -42.6 -67.68 0.25 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.62 1.968 . . . . 0.0 112.852 -177.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 64.6 mt -52.7 -38.02 59.97 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.652 1.581 . . . . 0.0 113.738 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 51.4 t30 -64.88 -48.89 72.6 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.691 -0.631 . . . . 0.0 110.008 175.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 11.1 mm -57.06 -45.95 84.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-O 118.7 -0.667 . . . . 0.0 110.73 177.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1848 ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 69.0 mttt -52.16 -46.09 65.33 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 119.833 1.197 . . . . 0.0 111.734 176.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 44.7 t60 -61.84 -48.51 80.24 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.383 0.673 . . . . 0.0 110.948 177.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 12.3 mptt -57.0 -34.25 67.96 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.71 1.604 . . . . 0.0 112.246 176.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.2 mp -74.08 -46.43 43.06 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.479 1.911 . . . . 0.0 111.952 175.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -179.615 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 CA--C 1.545 0.772 0 CA-C-O 120.603 0.24 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -147.89 112.72 3.91 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 124.594 1.158 . . . . 0.0 110.377 176.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -48.98 -31.77 21.35 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 124.385 3.39 . . . . 0.0 117.004 -177.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -69.36 -19.83 63.84 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.52 -24.89 64.04 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -177.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.78 -42.62 97.73 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.376 1.07 . . . . 0.0 110.642 177.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.96 -47.67 35.82 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.414 1.086 . . . . 0.0 110.125 175.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 57.5 t -53.56 -38.88 35.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 O-C-N 121.297 -0.877 . . . . 0.0 111.436 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 70.9 m -56.36 -29.64 61.65 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -77.32 -22.5 51.8 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 120.428 1.467 . . . . 0.0 112.379 176.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 4.6 mt -90.16 -55.46 6.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 125.817 1.647 . . . . 0.0 110.994 177.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -143.85 88.43 7.68 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 127.561 2.344 . . . . 0.0 111.07 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -71.46 172.27 14.57 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 122.305 2.004 . . . . 0.0 111.801 177.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -64.46 -22.06 66.85 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 121.135 -0.978 . . . . 0.0 113.601 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 27.6 p -78.53 -51.95 9.21 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.153 1.781 . . . . 0.0 115.071 -178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 35.0 m -142.81 165.69 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -173.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 41.6 ttm -83.71 60.39 5.71 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.648 1.579 . . . . 0.0 109.906 173.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 44.2 tp -48.5 -30.26 5.01 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.347 2.259 . . . . 0.0 115.591 -174.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.2 -16.91 15.5 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 177.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.7 p -70.92 -17.27 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 O-C-N 121.022 -1.048 . . . . 0.0 112.148 175.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -129.68 0.79 4.93 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.551 1.941 . . . . 0.0 114.607 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -135.9 149.95 49.16 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.234 1.814 . . . . 0.0 111.384 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.15 159.45 15.71 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.505 1.05 . . . . 0.0 114.58 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 70.5 mt -98.62 134.45 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 125.956 1.702 . . . . 0.0 110.316 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -79.08 59.86 2.82 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.847 1.659 . . . . 0.0 111.523 175.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 64.9 tp . . . . . 0 N--CA 1.482 1.144 0 O-C-N 120.92 -1.112 . . . . 0.0 110.236 172.763 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 75.2 ttt-85 . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.6 mp -66.41 -43.57 85.4 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.604 1.162 . . . . 0.0 110.86 176.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 67.7 m -58.02 -46.45 85.27 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.451 -0.781 . . . . 0.0 111.264 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 30.3 mt -56.67 -61.11 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 125.014 1.326 . . . . 0.0 110.766 176.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -61.52 -37.25 83.04 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -177.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 15.6 mmp_? -62.37 -49.63 74.78 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.312 0.96 . . . . 0.0 110.282 175.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 14.4 t -58.52 -36.76 74.32 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 122.015 -0.428 . . . . 0.0 111.372 175.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 53.4 mt -66.11 -30.31 49.54 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 C-N-CA 124.071 0.948 . . . . 0.0 112.532 176.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -63.36 -44.79 93.8 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 120.618 1.554 . . . . 0.0 109.599 174.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 17.1 m -59.9 -41.71 92.27 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.068 1.347 . . . . 0.0 111.065 175.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 56.9 tp -58.18 -55.1 39.38 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.482 1.513 . . . . 0.0 110.512 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 92.7 t -55.51 -52.54 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.636 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 31.0 t60 -51.81 -58.8 5.38 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 118.984 0.811 . . . . 0.0 111.204 177.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -58.42 -28.23 65.05 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 85.5 m -78.92 -14.05 59.44 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 177.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -120.04 -4.83 10.06 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.881 1.437 . . . . 0.0 114.881 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 7.3 t -62.89 112.85 2.74 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.703 1.201 . . . . 0.0 113.028 -176.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 47.2 ptt85 -71.86 -5.87 37.61 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 127.115 2.166 . . . . 0.0 115.239 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 32.7 t30 -127.77 107.54 9.97 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.545 1.538 . . . . 0.0 111.744 -178.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.49 -15.12 15.66 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 178.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 11.7 m120 -97.8 6.34 47.97 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.523 1.529 . . . . 0.0 113.72 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 46.9 t -52.62 115.12 1.63 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.889 1.676 . . . . 0.0 110.552 177.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 46.3 m -94.98 18.62 11.66 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.695 1.198 . . . . 0.0 114.154 -175.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 22.0 tp -67.29 125.78 91.56 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.387 1.475 . . . . 0.0 108.902 176.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -47.87 -43.97 28.24 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.37 2.713 . . . . 0.0 115.412 -177.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 5.2 p -63.17 -51.42 66.46 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.26 1.024 . . . . 0.0 111.921 177.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 13.3 t -55.57 -54.37 44.9 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.067 1.747 . . . . 0.0 110.106 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -50.71 -58.83 4.94 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.527 1.931 . . . . 0.0 112.319 176.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 92.7 mttt -59.02 -44.14 91.68 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.68 1.192 . . . . 0.0 112.022 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 48.4 tpp -64.67 -39.22 93.3 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.041 0.936 . . . . 0.0 112.97 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 12.8 mptt -51.99 -36.5 49.93 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.2 -0.938 . . . . 0.0 113.119 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 12.3 mpt_? -55.53 -56.6 18.41 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.194 0.998 . . . . 0.0 112.243 178.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 23.2 m -68.04 -32.49 56.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 47.2 t -61.41 -48.86 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.454 0.702 . . . . 0.0 109.78 175.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -63.73 -27.91 69.53 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.351 1.06 . . . . 0.0 112.321 176.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 13.5 t60 -71.12 -65.22 0.77 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.938 0.895 . . . . 0.0 110.684 176.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 10.0 t -54.43 -34.55 61.61 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -175.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -70.74 -12.56 61.63 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 177.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -130.92 -6.81 3.49 Favored Glycine 0 CA--C 1.538 1.512 0 N-CA-C 116.594 1.397 . . . . 0.0 116.594 -178.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 54.0 t -58.1 139.37 54.86 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.255 1.527 . . . . 0.0 112.492 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 60.3 tttm -88.45 -12.3 43.47 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.391 1.876 . . . . 0.0 112.807 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -105.61 -55.84 2.27 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.97 1.708 . . . . 0.0 112.307 -178.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 45.0 mtpt 54.16 -175.65 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.399 2.28 . . . . 0.0 113.837 -177.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 69.0 p -58.78 -30.88 67.9 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 120.669 -1.269 . . . . 0.0 112.841 179.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -59.02 -39.55 82.24 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.234 1.414 . . . . 0.0 112.007 176.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -91.65 -4.41 67.75 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 125.107 1.337 . . . . 0.0 113.817 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 93.14 16.2 48.37 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 125.497 1.522 . . . . 0.0 115.957 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 17.0 t -54.7 114.06 6.28 Favored Pre-proline 0 CA--C 1.554 1.125 0 CA-C-N 119.226 1.513 . . . . 0.0 112.303 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -56.14 -42.34 67.41 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 123.546 2.831 . . . . 0.0 113.828 -179.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 38.5 t -58.3 -59.53 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.07 1.348 . . . . 0.0 110.278 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 49.6 m -55.23 -47.49 75.27 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.076 1.35 . . . . 0.0 111.018 177.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -55.05 -44.55 74.8 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.302 -0.874 . . . . 0.0 112.94 178.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -64.4 -35.17 80.03 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.661 0.664 . . . . 0.0 112.254 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 4.6 mt -65.9 -50.8 63.17 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.536 0.607 . . . . 0.0 109.901 173.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 24.1 mm -59.35 -36.81 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 118.814 -0.612 . . . . 0.0 111.799 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -57.75 -49.33 76.94 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 119.761 1.164 . . . . 0.0 111.348 176.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.37 -42.31 88.16 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.581 1.152 . . . . 0.0 111.297 176.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 81.4 m -59.66 -40.08 86.53 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.926 0.785 . . . . 0.0 111.043 174.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 49.7 t -64.72 -51.56 61.77 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.138 1.375 . . . . 0.0 110.786 176.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 35.5 t80 -56.71 -41.49 77.53 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.627 0.649 . . . . 0.0 111.397 176.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 56.1 t60 -60.48 -59.28 5.65 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.616 0.766 . . . . 0.0 110.124 174.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -55.22 -28.93 56.59 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.663 1.585 . . . . 0.0 114.676 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -56.59 -46.38 80.85 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.702 1.601 . . . . 0.0 110.686 176.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 49.4 m80 -89.93 -30.17 18.02 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.987 2.115 . . . . 0.0 114.201 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 14.1 t -66.86 165.0 16.16 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.189 1.395 . . . . 0.0 113.303 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -155.87 -2.95 0.13 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.888 2.075 . . . . 0.0 114.768 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -69.23 114.94 7.95 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.827 -1.17 . . . . 0.0 110.968 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -15.76 35.66 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 -177.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -129.63 26.79 5.3 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.486 1.914 . . . . 0.0 113.463 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 10.5 t -47.85 133.97 11.28 Favored Pre-proline 0 CA--C 1.558 1.255 0 C-N-CA 126.422 1.889 . . . . 0.0 112.346 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.34 -24.85 64.38 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.64 2.893 . . . . 0.0 115.484 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 84.3 t -65.46 116.13 28.33 Favored Pre-proline 0 N--CA 1.477 0.875 0 C-N-CA 124.742 1.217 . . . . 0.0 109.994 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -48.54 -52.27 8.79 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 124.241 3.294 . . . . 0.0 116.016 -176.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -78.03 -23.76 48.1 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 114.657 1.355 . . . . 0.0 114.657 -177.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 44.0 t -46.19 -64.74 0.68 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.268 1.427 . . . . 0.0 112.005 -178.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 56.6 mt -53.49 -39.08 64.28 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.882 1.273 . . . . 0.0 114.019 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -62.37 -49.73 74.39 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.434 0.561 . . . . 0.0 109.834 176.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 7.4 mm -59.25 -48.59 86.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-O 119.025 -0.512 . . . . 0.0 110.234 176.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -52.94 -43.93 66.69 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 119.634 1.106 . . . . 0.0 112.082 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 64.0 t60 -62.11 -53.19 58.94 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.282 0.633 . . . . 0.0 110.573 176.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 8.7 mptt -51.05 -43.61 60.97 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.236 1.414 . . . . 0.0 111.212 176.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 3.7 mp -58.4 -30.69 67.04 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.141 1.776 . . . . 0.0 114.671 177.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? . . . . . 0 N--CA 1.479 1.021 0 CA-C-N 119.311 0.96 . . . . 0.0 111.829 176.242 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 CA--C 1.543 0.684 0 CA-C-O 121.05 0.452 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -147.28 118.89 4.63 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 125.793 1.637 . . . . 0.0 109.265 175.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -48.19 -30.62 15.04 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 124.181 3.254 . . . . 0.0 116.642 -177.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -77.38 -17.89 57.8 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -57.95 -33.42 68.83 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -174.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.74 -44.7 89.28 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.313 1.045 . . . . 0.0 111.223 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.87 -26.16 64.99 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.253 1.021 . . . . 0.0 113.331 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 65.3 t -79.41 -48.97 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.542 1.137 . . . . 0.0 110.109 176.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 48.9 m -49.31 -42.38 41.26 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.048 1.739 . . . . 0.0 114.815 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 -64.74 -26.3 68.3 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 8.4 mt -90.01 -55.95 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 126.475 1.91 . . . . 0.0 109.425 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -153.45 102.33 2.57 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 127.545 2.338 . . . . 0.0 113.343 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -78.43 175.27 11.27 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 123.284 2.656 . . . . 0.0 111.347 176.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -77.99 -16.85 57.78 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 120.92 -1.112 . . . . 0.0 113.567 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 23.9 p -77.58 -50.22 13.01 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.23 1.812 . . . . 0.0 114.187 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 35.9 m -139.79 159.02 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.818 1.647 . . . . 0.0 112.921 -177.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 89.7 mmm -80.23 56.57 2.5 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.767 1.227 . . . . 0.0 111.414 176.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 tt -49.67 -31.42 10.97 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.4 1.88 . . . . 0.0 113.003 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.06 -29.22 28.85 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 175.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 1.8 p -62.92 -17.91 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 119.619 1.1 . . . . 0.0 113.814 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -127.06 14.95 7.35 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.867 2.067 . . . . 0.0 113.079 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -131.06 174.99 9.46 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.577 1.951 . . . . 0.0 111.81 -177.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.24 165.75 32.91 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.001 1.286 . . . . 0.0 113.306 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 62.9 mt -122.47 118.05 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 126.076 1.751 . . . . 0.0 108.919 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -74.9 65.57 1.42 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.001 1.32 . . . . 0.0 113.26 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 51.4 tp . . . . . 0 CA--C 1.551 1.001 0 O-C-N 120.517 -1.364 . . . . 0.0 112.615 176.5 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 37.3 mt -66.79 -41.99 86.73 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.24 1.416 . . . . 0.0 111.068 176.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 48.6 p -62.5 -39.62 94.08 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.214 0.915 . . . . 0.0 111.644 178.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 79.3 mt -58.8 -63.99 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 125.482 1.513 . . . . 0.0 110.112 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -60.16 -33.59 72.4 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -178.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -66.36 -51.46 56.95 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.757 0.823 . . . . 0.0 110.743 175.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 23.0 t -58.01 -34.75 70.35 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 118.524 0.602 . . . . 0.0 111.501 176.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 50.8 mt -62.05 -28.07 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 O-C-N 121.005 -1.059 . . . . 0.0 112.452 176.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -63.32 -46.07 88.34 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.379 1.445 . . . . 0.0 109.559 174.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 9.0 m -59.7 -40.75 88.97 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.773 1.629 . . . . 0.0 111.184 175.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.19 -54.62 44.89 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.337 1.455 . . . . 0.0 110.648 176.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 91.8 t -55.61 -50.46 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-O 118.428 -0.796 . . . . 0.0 110.45 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 27.2 t60 -52.57 -58.22 7.48 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.789 0.722 . . . . 0.0 111.012 177.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -56.55 -29.5 62.03 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 91.3 m -78.3 -14.15 59.54 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -120.04 -12.96 9.04 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 8.7 t -58.87 124.22 19.11 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.78 1.632 . . . . 0.0 112.175 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -78.73 -14.09 59.47 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.785 2.034 . . . . 0.0 115.407 -175.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 29.1 t30 -131.37 113.01 13.24 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.868 1.267 . . . . 0.0 112.702 -176.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -58.97 -15.89 15.26 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -92.11 6.93 44.69 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.144 1.777 . . . . 0.0 113.691 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 44.4 t -44.74 130.43 7.06 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 127.204 2.202 . . . . 0.0 113.0 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 20.2 m -75.43 -9.35 58.49 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 -176.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 16.9 tp -71.7 122.38 87.07 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 124.506 1.123 . . . . 0.0 112.373 -177.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.92 -41.79 61.54 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 123.147 2.564 . . . . 0.0 113.321 177.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 70.4 m -57.2 -49.06 77.17 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.328 1.451 . . . . 0.0 112.135 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 25.2 t -60.98 -56.3 22.73 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.924 1.69 . . . . 0.0 109.909 177.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -51.14 -52.06 47.55 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.566 1.546 . . . . 0.0 113.129 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -64.26 -45.43 88.12 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.29 1.036 . . . . 0.0 111.736 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 46.8 tpp -60.29 -39.5 87.15 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.962 0.905 . . . . 0.0 112.317 176.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -52.51 -34.77 51.18 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.108 0.963 . . . . 0.0 113.475 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -58.65 -58.51 8.24 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-N 119.9 1.227 . . . . 0.0 111.942 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 27.0 m -65.97 -33.9 66.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 118.306 0.503 . . . . 0.0 112.333 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 43.7 t -62.71 -47.22 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.841 0.856 . . . . 0.0 110.199 175.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -63.0 -30.02 71.27 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.439 1.096 . . . . 0.0 112.098 175.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 9.6 t60 -67.27 -65.28 0.7 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.495 0.718 . . . . 0.0 109.988 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 9.3 t -55.57 -34.75 65.05 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -175.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -72.81 -16.23 61.62 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -116.13 -9.13 12.29 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 125.702 1.62 . . . . 0.0 115.704 -178.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 9.5 t -64.81 168.98 5.56 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.728 1.611 . . . . 0.0 112.604 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -122.91 3.0 9.43 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.461 2.304 . . . . 0.0 112.812 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -130.02 179.85 5.63 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 128.836 2.854 . . . . 0.0 109.405 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1812 ' ' LYS . . . . . 0.443 ' HG3' ' H ' ' A' 1813 ' ' THR . 10.2 tptm -162.45 -172.25 3.09 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 126.189 1.796 . . . . 0.0 110.762 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1813 ' ' THR . . . . . 0.443 ' H ' ' HG3' ' A' 1812 ' ' LYS . 22.8 p -51.32 -47.48 62.65 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.589 1.956 . . . . 0.0 112.336 176.308 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 40.7 t30 -61.66 -32.27 72.43 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.208 1.403 . . . . 0.0 112.875 178.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -86.66 -23.22 43.51 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 124.734 1.159 . . . . 0.0 113.377 177.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 107.23 10.56 27.48 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 126.236 1.874 . . . . 0.0 116.946 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 9.6 t -61.24 111.03 3.59 Favored Pre-proline 0 CA--C 1.551 0.995 0 CA-C-N 120.31 2.055 . . . . 0.0 111.647 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -59.7 -47.67 15.36 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.84 2.36 . . . . 0.0 113.911 -177.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 42.8 t -56.64 -56.45 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 CA-C-N 119.162 0.892 . . . . 0.0 111.364 -178.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 62.1 m -54.63 -45.66 73.79 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.484 1.114 . . . . 0.0 110.442 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -55.8 -42.61 75.87 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.122 0.969 . . . . 0.0 112.642 177.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -61.31 -43.91 98.09 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.202 0.91 . . . . 0.0 111.166 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 6.3 mt -63.95 -53.92 42.68 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.982 0.513 . . . . 0.0 111.601 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 37.3 mm -56.4 -36.17 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.794 0.838 . . . . 0.0 112.431 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -58.34 -48.07 81.75 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.728 1.149 . . . . 0.0 111.678 175.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.85 -42.32 81.53 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.738 1.215 . . . . 0.0 111.283 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 97.6 m -58.55 -40.09 82.04 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.296 0.953 . . . . 0.0 110.909 174.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 49.3 t -64.16 -51.96 61.34 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.196 0.998 . . . . 0.0 111.116 176.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 32.7 t80 -56.16 -42.89 77.72 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.465 0.706 . . . . 0.0 111.309 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 44.4 t60 -58.97 -59.46 5.43 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.126 0.97 . . . . 0.0 110.147 175.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -54.12 -32.62 55.57 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.379 1.472 . . . . 0.0 114.644 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -56.28 -46.5 79.71 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.907 1.683 . . . . 0.0 111.114 177.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 47.6 m80 -90.24 -26.04 20.27 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.55 1.94 . . . . 0.0 114.634 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1834 ' ' CYS . . . . . 0.419 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 9.1 t -64.42 151.26 44.61 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.723 1.209 . . . . 0.0 113.602 -177.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -138.07 -1.36 1.97 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.409 1.884 . . . . 0.0 114.145 -178.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -73.74 134.31 43.46 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 120.646 -1.284 . . . . 0.0 112.133 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 31.0 t30 -71.41 -24.76 62.11 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -178.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -135.2 45.76 2.47 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 126.804 2.042 . . . . 0.0 112.03 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 25.8 t -53.66 136.89 53.63 Favored Pre-proline 0 CA--C 1.559 1.297 0 C-N-CA 125.703 1.601 . . . . 0.0 112.659 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -65.48 -25.03 55.97 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 123.474 2.782 . . . . 0.0 114.796 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 82.3 t -65.24 125.66 89.82 Favored Pre-proline 0 N--CA 1.476 0.864 0 CA-C-N 119.357 0.981 . . . . 0.0 109.211 178.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -62.8 -48.28 7.22 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.116 2.544 . . . . 0.0 115.104 -174.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -76.77 -24.44 52.9 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -177.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 53.0 t -41.99 -67.73 0.24 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.501 1.92 . . . . 0.0 113.145 -177.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 1.1 mp -52.35 -40.66 62.25 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.227 1.411 . . . . 0.0 113.846 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -62.19 -48.38 80.29 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.847 0.459 . . . . 0.0 110.265 176.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 10.7 mm -57.96 -47.22 87.09 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 118.531 -0.747 . . . . 0.0 110.516 176.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1848 ' ' LYS . . . . . 0.419 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 65.6 mttt -52.59 -46.5 66.96 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 120.004 1.275 . . . . 0.0 111.614 177.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 55.9 t60 -60.77 -45.7 93.35 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.969 0.907 . . . . 0.0 111.604 177.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -60.11 -46.36 89.88 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.395 1.478 . . . . 0.0 111.211 175.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.5 mp -58.28 -38.15 76.42 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.902 1.681 . . . . 0.0 112.191 176.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 . . . . . 0 N--CA 1.476 0.867 0 C-N-CA 124.278 1.031 . . . . 0.0 113.739 177.803 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 CA--C 1.54 0.576 0 CA-C-O 121.202 0.525 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -152.31 120.7 3.26 Favored Pre-proline 0 CA--C 1.545 0.766 0 C-N-CA 124.42 1.088 . . . . 0.0 110.307 -177.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -51.04 -29.85 29.22 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.505 2.804 . . . . 0.0 115.843 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -71.96 -21.31 61.61 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.097 0.959 . . . . 0.0 113.042 178.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -60.7 -29.51 69.37 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 120.039 1.29 . . . . 0.0 113.723 -176.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -64.41 -35.82 82.15 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.408 1.083 . . . . 0.0 111.246 176.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.58 -31.78 63.79 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.123 0.969 . . . . 0.0 111.629 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 28.8 t -71.29 -46.44 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-N 118.608 0.64 . . . . 0.0 109.608 175.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 8.6 t -47.18 -51.91 17.09 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.437 2.295 . . . . 0.0 114.536 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -64.48 -21.15 66.58 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 13.1 mt -90.24 -53.92 8.37 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 C-N-CA 125.645 1.578 . . . . 0.0 109.981 176.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -153.03 102.83 2.64 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 128.06 2.544 . . . . 0.0 111.099 177.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -77.21 175.14 11.71 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 122.83 2.354 . . . . 0.0 112.33 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -65.35 -26.36 67.99 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.06 -1.025 . . . . 0.0 112.971 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 19.0 m -69.81 -47.32 63.25 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.608 1.563 . . . . 0.0 114.812 -178.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 29.8 m -146.14 158.41 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 125.181 1.392 . . . . 0.0 113.297 -176.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 51.0 ttm -79.47 64.92 4.49 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.599 1.159 . . . . 0.0 110.191 174.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 17.9 tp -55.28 -21.58 15.18 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.142 1.377 . . . . 0.0 113.088 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.28 -22.14 17.38 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.199 1.4 . . . . 0.0 113.415 174.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.3 p -72.6 -13.99 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.05 0.94 . . . . 0.0 112.944 176.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -128.19 -22.83 3.37 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.412 1.485 . . . . 0.0 114.193 178.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -72.29 161.34 30.98 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.047 1.339 . . . . 0.0 111.678 176.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.59 96.29 0.17 Allowed Glycine 0 CA--C 1.531 1.07 0 C-N-CA 125.01 1.29 . . . . 0.0 112.839 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 67.8 mt -63.55 103.73 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.658 1.583 . . . . 0.0 109.469 178.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -77.58 59.3 1.93 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.178 1.391 . . . . 0.0 112.607 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 tt . . . . . 0 N--CA 1.475 0.792 0 C-N-CA 126.17 1.788 . . . . 0.0 113.425 -178.933 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 30.7 ttm-85 . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 8.5 mp -70.06 -43.45 71.17 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.03 1.332 . . . . 0.0 111.476 177.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 57.7 m -62.75 -41.55 99.25 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.36 -0.837 . . . . 0.0 111.569 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 40.4 mt -55.39 -62.37 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 125.512 1.525 . . . . 0.0 109.911 176.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -60.17 -44.85 94.72 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -57.9 -47.04 83.99 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.074 0.852 . . . . 0.0 111.478 176.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 26.6 t -61.65 -38.48 87.86 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 122.825 0.45 . . . . 0.0 111.04 175.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 51.5 mt -63.72 -37.53 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.363 1.065 . . . . 0.0 112.249 177.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -58.28 -44.12 88.33 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 120.455 1.48 . . . . 0.0 110.095 174.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 25.1 m -65.14 -36.47 84.37 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.916 0.886 . . . . 0.0 112.138 175.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.02 -52.85 63.63 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.056 1.742 . . . . 0.0 109.512 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 90.4 t -56.71 -50.71 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.877 0.871 . . . . 0.0 110.226 176.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 34.0 t60 -52.1 -58.0 7.88 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.735 0.814 . . . . 0.0 111.03 177.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -55.73 -30.38 61.11 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 89.0 m -74.22 -15.09 61.01 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 177.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -119.84 -15.13 8.9 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.181 1.392 . . . . 0.0 114.134 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 15.5 t -60.83 119.1 7.55 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.39 1.876 . . . . 0.0 111.678 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -74.06 -8.5 56.35 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 126.429 1.892 . . . . 0.0 115.683 -175.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 25.8 t30 -140.35 115.02 9.49 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.472 1.109 . . . . 0.0 112.722 -176.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.75 -15.46 20.28 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 177.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -93.53 11.28 29.18 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 126.564 1.946 . . . . 0.0 113.538 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 52.9 t -44.88 138.15 3.7 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 127.564 2.346 . . . . 0.0 112.969 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 78.9 p -73.48 -5.36 39.58 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 -176.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 27.0 tp -77.8 119.15 76.28 Favored Pre-proline 0 CA--C 1.549 0.937 0 CA-C-N 120.312 1.414 . . . . 0.0 110.829 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.11 -42.15 39.68 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 123.356 2.704 . . . . 0.0 114.899 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 91.1 p -70.8 -37.15 73.26 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 49.7 t -59.38 -50.14 75.1 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.433 1.493 . . . . 0.0 109.776 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -49.19 -50.09 39.64 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.546 1.538 . . . . 0.0 111.977 176.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -66.08 -50.73 63.08 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.51 1.124 . . . . 0.0 111.821 177.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 57.4 tpp -54.37 -40.99 68.65 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.011 1.324 . . . . 0.0 113.077 178.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -51.97 -37.33 52.6 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.049 0.939 . . . . 0.0 113.223 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -60.73 -57.64 11.84 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.557 1.071 . . . . 0.0 111.848 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 17.8 m -62.4 -36.94 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 118.523 0.601 . . . . 0.0 112.196 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 44.9 t -61.24 -50.94 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.007 0.923 . . . . 0.0 110.332 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -63.01 -29.54 70.9 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.188 0.995 . . . . 0.0 112.405 176.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.4 t60 -68.54 -66.95 0.51 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.157 0.983 . . . . 0.0 110.0 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 2.8 t -56.7 -33.22 66.25 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 -174.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -69.35 -14.08 62.72 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -133.28 0.36 4.31 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 124.953 1.263 . . . . 0.0 116.154 -178.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 49.6 t -56.01 129.98 42.03 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.026 1.413 . . . . 0.0 112.732 -178.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -72.86 -7.18 49.63 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.598 1.559 . . . . 0.0 113.032 178.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -119.95 -55.54 2.07 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.731 2.013 . . . . 0.0 111.769 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1812 ' ' LYS . . . . . 0.481 ' HG2' ' H ' ' A' 1813 ' ' THR . 22.5 tttm 54.4 -175.69 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 127.596 2.358 . . . . 0.0 113.536 -177.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1813 ' ' THR . . . . . 0.481 ' H ' ' HG2' ' A' 1812 ' ' LYS . 81.2 p -57.67 -32.94 67.82 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 120.34 -1.475 . . . . 0.0 112.601 178.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 38.1 t30 -58.5 -40.0 81.6 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.408 1.483 . . . . 0.0 112.267 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -91.28 -5.44 67.46 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 125.065 1.317 . . . . 0.0 113.866 177.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 97.02 14.8 41.23 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.622 1.582 . . . . 0.0 116.122 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 25.3 t -56.76 119.25 28.28 Favored Pre-proline 0 CA--C 1.552 1.023 0 CA-C-N 119.432 1.616 . . . . 0.0 111.761 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -65.06 -38.21 29.34 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.941 2.427 . . . . 0.0 113.739 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 64.5 t -58.46 -57.69 9.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.248 1.019 . . . . 0.0 110.34 178.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 56.6 m -53.78 -45.58 70.73 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.372 1.469 . . . . 0.0 110.642 177.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -40.81 74.18 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 118.208 -0.901 . . . . 0.0 112.233 177.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -62.94 -44.91 94.79 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.666 1.121 . . . . 0.0 111.426 177.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.79 -50.1 68.11 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 122.933 0.493 . . . . 0.0 111.755 178.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 39.7 mm -64.19 -31.52 53.7 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 124.158 0.983 . . . . 0.0 112.034 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -58.88 -49.24 78.51 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 120.371 1.441 . . . . 0.0 110.584 174.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.81 -42.6 97.65 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.525 1.13 . . . . 0.0 110.827 175.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 11.0 t -59.79 -35.78 75.36 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 118.649 0.659 . . . . 0.0 111.676 174.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 37.1 t -67.92 -49.1 63.84 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.32 1.048 . . . . 0.0 110.645 176.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 24.7 t80 -57.5 -37.54 73.15 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.242 0.617 . . . . 0.0 111.199 175.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 41.7 t60 -64.29 -63.17 1.21 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.526 1.13 . . . . 0.0 109.955 173.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -50.74 -37.03 39.44 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.409 1.883 . . . . 0.0 114.588 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -55.51 -46.78 76.93 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 126.364 1.865 . . . . 0.0 111.494 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 32.7 m80 -90.02 -24.71 21.14 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.321 1.448 . . . . 0.0 114.232 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1834 ' ' CYS . . . . . 0.435 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 14.4 t -64.31 151.27 44.29 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.74 1.616 . . . . 0.0 112.994 -178.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -136.49 -3.77 2.11 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.075 1.75 . . . . 0.0 114.311 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -76.12 115.45 15.85 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.715 -1.241 . . . . 0.0 111.687 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 36.9 t30 -61.39 -17.55 54.62 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -131.72 35.78 3.77 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.88 2.072 . . . . 0.0 113.038 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 18.0 t -50.54 135.45 25.34 Favored Pre-proline 0 CA--C 1.559 1.321 0 C-N-CA 126.206 1.803 . . . . 0.0 112.432 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -66.16 -19.43 56.82 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 123.67 2.913 . . . . 0.0 115.627 -177.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 74.8 t -68.56 117.51 51.04 Favored Pre-proline 0 N--CA 1.475 0.818 0 C-N-CA 124.394 1.078 . . . . 0.0 109.709 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -48.74 -51.32 10.61 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 124.297 3.331 . . . . 0.0 116.378 -176.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -81.36 -23.1 37.93 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -176.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 48.6 t -42.58 -65.21 0.5 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.331 1.853 . . . . 0.0 112.815 -177.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 58.6 mt -54.33 -37.09 64.47 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.343 1.457 . . . . 0.0 113.573 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 55.1 t30 -65.91 -46.77 77.04 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 118.627 0.649 . . . . 0.0 110.207 175.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 11.4 mm -58.06 -47.48 86.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-O 118.704 -0.665 . . . . 0.0 110.401 176.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1848 ' ' LYS . . . . . 0.435 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 69.7 mttt -52.29 -46.23 65.84 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 119.724 1.147 . . . . 0.0 111.549 176.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 50.5 t60 -60.37 -51.41 69.61 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.559 0.744 . . . . 0.0 110.746 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 11.1 mptt -54.24 -42.4 69.84 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.203 1.401 . . . . 0.0 111.66 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.7 mp -62.57 -46.18 89.51 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.915 1.686 . . . . 0.0 112.07 176.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 . . . . . 0 N--CA 1.477 0.923 0 C-N-CA 123.864 0.866 . . . . 0.0 113.203 177.451 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 CA--C 1.54 0.573 0 CA-C-O 120.992 0.425 . . . . 0.0 111.967 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -155.48 152.23 24.1 Favored Pre-proline 0 CA--C 1.542 0.641 0 C-N-CA 126.16 1.784 . . . . 0.0 110.366 177.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -71.74 -7.57 21.41 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.378 2.052 . . . . 0.0 114.906 -176.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -95.36 -11.64 27.41 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.56 -34.79 74.68 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.139 -0.975 . . . . 0.0 112.957 -176.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -72.03 -33.26 67.88 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.586 1.154 . . . . 0.0 111.672 176.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.71 -43.6 68.64 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.368 1.067 . . . . 0.0 111.432 177.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 33.1 m -73.01 -37.53 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 119.142 0.883 . . . . 0.0 111.906 176.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 73.7 m -57.85 -42.32 84.23 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -177.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -68.89 -23.59 64.22 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 15.9 mt -90.19 -52.44 10.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 C-N-CA 126.325 1.85 . . . . 0.0 111.223 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -150.36 91.05 4.23 Favored Pre-proline 0 CA--C 1.559 1.306 0 C-N-CA 129.332 3.053 . . . . 0.0 112.323 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -74.89 173.99 13.51 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 123.086 2.524 . . . . 0.0 113.103 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -70.52 -22.29 62.64 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.3 -0.875 . . . . 0.0 112.931 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 24.9 p -73.8 -54.16 8.64 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.326 1.85 . . . . 0.0 113.694 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 20.2 m -140.63 160.46 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.624 1.57 . . . . 0.0 112.951 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 96.7 mmm -81.93 67.13 7.8 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.345 1.058 . . . . 0.0 110.89 175.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.42 -28.0 18.14 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.52 -19.58 3.91 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.5 p -75.96 -15.99 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 119.233 0.924 . . . . 0.0 113.094 176.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -130.1 -26.55 2.36 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.99 1.716 . . . . 0.0 114.643 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -80.99 160.92 24.47 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.056 2.142 . . . . 0.0 111.999 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -133.48 159.98 23.83 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.99 1.281 . . . . 0.0 113.586 178.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 82.1 mt -119.85 116.1 49.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 126.399 1.879 . . . . 0.0 109.074 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -77.81 64.58 3.09 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.564 1.146 . . . . 0.0 112.752 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 tt . . . . . 0 N--CA 1.474 0.752 0 C-N-CA 125.589 1.556 . . . . 0.0 112.559 177.233 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 . . . . . 0 N--CA 1.478 0.942 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 50.2 mt -65.77 -38.39 88.91 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.606 1.163 . . . . 0.0 111.376 176.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 55.0 m -64.46 -44.43 91.12 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.496 -0.752 . . . . 0.0 111.175 178.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 64.4 mt -54.69 -60.62 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 124.405 1.082 . . . . 0.0 110.782 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -60.92 -32.59 72.08 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -65.0 -52.03 58.38 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.888 0.875 . . . . 0.0 110.655 175.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 32.2 t -59.13 -35.39 73.37 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.038 0.835 . . . . 0.0 111.596 176.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 51.2 mt -60.87 -25.11 34.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 C-N-CA 124.35 1.06 . . . . 0.0 112.331 175.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -64.8 -42.76 94.76 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 120.135 -1.603 . . . . 0.0 109.666 172.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 8.1 t -62.25 -41.21 98.24 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.335 1.054 . . . . 0.0 111.274 174.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 58.6 tp -54.41 -51.95 63.27 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.454 1.101 . . . . 0.0 110.938 175.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 48.0 t -61.58 -50.72 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.251 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 34.0 t60 -52.12 -58.87 5.27 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.483 1.038 . . . . 0.0 111.761 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.33 -33.02 67.3 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 12.7 p -76.14 -12.62 60.14 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -120.09 -7.78 9.83 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.242 1.417 . . . . 0.0 114.735 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 12.9 t -61.93 116.77 5.15 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.356 1.462 . . . . 0.0 111.41 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -74.73 -6.26 47.86 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.032 1.733 . . . . 0.0 115.546 -175.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 30.8 t30 -135.99 110.84 8.76 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.575 1.15 . . . . 0.0 112.28 -177.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -58.23 -16.04 12.29 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 178.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -90.78 4.89 50.42 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.109 1.764 . . . . 0.0 113.694 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 49.5 t -45.17 122.94 3.65 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.074 2.15 . . . . 0.0 112.348 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 15.4 m -73.54 -4.83 36.39 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 115.9 1.815 . . . . 0.0 115.9 -175.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 13.2 tp -66.18 133.28 94.6 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-N 120.697 1.59 . . . . 0.0 109.854 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -64.36 -38.21 35.55 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 121.719 1.613 . . . . 0.0 111.708 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 20.2 m -63.12 -49.47 74.27 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.982 1.313 . . . . 0.0 111.85 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 35.1 t -55.83 -52.25 64.66 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.465 1.506 . . . . 0.0 110.708 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -54.33 -48.72 71.06 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.779 1.231 . . . . 0.0 112.305 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1798 ' ' LYS . . . . . 0.455 ' HZ1' ' HB2' ' B' ' 59' ' ' GLU . 47.7 mtmt -60.89 -48.9 79.7 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 118.835 0.743 . . . . 0.0 111.407 175.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 3.1 tpt -54.8 -41.02 70.09 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.938 0.895 . . . . 0.0 112.098 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 13.8 mptt -54.02 -35.41 61.9 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 117.799 -1.096 . . . . 0.0 113.064 177.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -63.36 -54.23 40.05 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 120.181 1.355 . . . . 0.0 111.496 177.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 22.9 m -64.11 -37.3 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-N 118.645 0.657 . . . . 0.0 112.039 178.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 45.7 t -61.12 -46.73 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.137 0.975 . . . . 0.0 110.428 175.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.32 -31.37 72.5 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.749 1.219 . . . . 0.0 111.942 175.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 7.7 t60 -67.84 -64.49 0.85 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.647 0.779 . . . . 0.0 110.262 176.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 13.1 t -54.18 -35.0 61.84 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 114.403 1.261 . . . . 0.0 114.403 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -75.01 -13.2 60.48 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 177.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -127.52 -5.94 5.32 Favored Glycine 0 CA--C 1.539 1.556 0 N-CA-C 116.836 1.494 . . . . 0.0 116.836 -177.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 48.9 t -59.72 154.02 19.02 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.169 1.485 . . . . 0.0 112.774 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.14 0.14 23.2 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 127.41 2.284 . . . . 0.0 113.954 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -119.03 -56.58 2.09 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.903 1.681 . . . . 0.0 111.491 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 45.5 mtpt 52.98 -173.78 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.148 2.179 . . . . 0.0 113.934 -178.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 15.0 p -59.02 -25.77 63.96 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 120.439 -1.413 . . . . 0.0 112.73 176.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 37.3 t30 -58.95 -39.42 81.6 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.071 1.349 . . . . 0.0 111.823 175.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -98.89 -5.33 56.53 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 125.529 1.538 . . . . 0.0 114.082 177.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 94.47 17.66 38.48 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 125.652 1.596 . . . . 0.0 116.013 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 12.1 t -54.67 112.96 4.56 Favored Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 125.427 1.491 . . . . 0.0 112.553 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -55.62 -42.07 71.39 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.912 3.075 . . . . 0.0 114.876 -177.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 41.3 t -61.44 -54.2 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.607 0.763 . . . . 0.0 110.878 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 47.7 m -56.96 -44.62 82.78 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.545 1.138 . . . . 0.0 110.731 177.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1821 ' ' LYS . . . . . 0.4 ' O ' ' HE2' ' A' 1821 ' ' LYS . 0.0 OUTLIER -57.87 -50.69 72.46 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.779 1.231 . . . . 0.0 110.198 175.41 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -53.79 -45.42 70.7 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.693 1.197 . . . . 0.0 112.02 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.35 -51.02 63.32 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.815 0.734 . . . . 0.0 110.981 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 65.9 mt -60.76 -32.07 51.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 124.427 1.091 . . . . 0.0 111.452 178.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -59.95 -55.11 38.08 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.94 1.296 . . . . 0.0 110.206 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.13 -38.81 90.36 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.472 -0.768 . . . . 0.0 111.565 176.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 72.1 m -61.4 -38.15 86.05 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 118.932 0.787 . . . . 0.0 111.301 173.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 43.2 t -66.44 -48.6 69.44 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.675 1.19 . . . . 0.0 111.036 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 37.6 t80 -57.02 -43.61 82.04 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.012 0.525 . . . . 0.0 110.669 175.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 37.0 t60 -58.59 -58.16 9.79 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.747 0.819 . . . . 0.0 109.808 175.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -52.46 -34.39 48.82 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.92 1.688 . . . . 0.0 114.691 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -56.9 -46.54 81.87 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.988 1.715 . . . . 0.0 111.038 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 49.5 m80 -90.14 -25.24 20.8 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.526 1.93 . . . . 0.0 114.685 -178.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1834 ' ' CYS . . . . . 0.463 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 8.7 t -64.88 164.08 13.16 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.456 1.502 . . . . 0.0 113.694 -178.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -149.02 -5.84 0.39 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.066 1.746 . . . . 0.0 115.196 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -76.01 111.37 11.33 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 120.959 -1.088 . . . . 0.0 111.485 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -59.4 -11.06 3.74 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 116.289 1.959 . . . . 0.0 116.289 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -133.11 27.46 4.19 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.291 2.236 . . . . 0.0 113.064 -178.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 15.0 t -48.49 134.53 13.15 Favored Pre-proline 0 CA--C 1.559 1.302 0 C-N-CA 126.662 1.985 . . . . 0.0 113.123 -178.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -66.68 -21.71 51.4 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 123.796 2.997 . . . . 0.0 115.722 -177.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 75.6 t -64.73 119.4 57.27 Favored Pre-proline 0 N--CA 1.477 0.89 0 CA-C-N 119.599 1.09 . . . . 0.0 110.331 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -47.03 -56.54 2.95 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 124.663 3.575 . . . . 0.0 116.572 -176.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -79.72 -19.02 49.82 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.789 1.404 . . . . 0.0 114.789 -176.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 52.5 t -45.95 -68.86 0.16 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.646 1.578 . . . . 0.0 112.68 -177.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 59.5 mt -54.32 -36.16 63.45 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.239 1.416 . . . . 0.0 113.655 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -63.91 -49.11 73.93 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.463 0.705 . . . . 0.0 110.227 175.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 8.3 mm -59.66 -46.55 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-O 118.562 -0.732 . . . . 0.0 110.473 175.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1848 ' ' LYS . . . . . 0.463 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 69.2 mttt -51.78 -47.27 64.26 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 119.666 1.121 . . . . 0.0 110.992 177.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 48.0 t60 -57.68 -49.41 76.6 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.498 0.719 . . . . 0.0 110.805 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -58.06 -40.98 82.36 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 118.735 0.698 . . . . 0.0 111.78 177.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.64 -39.56 91.76 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.455 1.502 . . . . 0.0 112.062 176.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? . . . . . 0 N--CA 1.48 1.06 0 CA-C-N 118.974 0.806 . . . . 0.0 112.625 176.448 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 CA--C 1.541 0.625 0 CA-C-O 121.134 0.492 . . . . 0.0 111.798 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -157.7 135.72 7.38 Favored Pre-proline 0 CA--C 1.549 0.904 0 C-N-CA 126.646 1.978 . . . . 0.0 109.542 176.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -64.74 -12.63 34.92 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.929 2.419 . . . . 0.0 115.547 -177.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -103.58 -7.2 20.98 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.091 1.356 . . . . 0.0 113.214 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.455 ' HB2' ' HZ1' ' A' 1798 ' ' LYS . 9.3 pt-20 -57.57 -35.51 70.47 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -172.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -59.25 -46.98 87.06 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.356 1.062 . . . . 0.0 110.588 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.15 -22.7 66.96 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.459 1.104 . . . . 0.0 113.35 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 38.5 t -79.92 -50.73 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-N 119.06 0.845 . . . . 0.0 109.175 175.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 37.4 m -54.78 -39.2 68.17 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.144 1.377 . . . . 0.0 114.698 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -63.2 -24.78 68.03 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 119.337 0.971 . . . . 0.0 113.1 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 7.4 mt -90.07 -53.58 8.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 125.981 1.712 . . . . 0.0 109.419 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -151.52 101.61 2.93 Favored Pre-proline 0 CA--C 1.551 1.008 0 C-N-CA 127.147 2.179 . . . . 0.0 111.343 179.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -76.1 172.01 17.06 Favored 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 122.46 2.107 . . . . 0.0 110.595 176.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -69.43 -22.02 63.7 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 120.699 -1.25 . . . . 0.0 112.989 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 18.1 m -71.59 -46.88 58.04 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.956 1.702 . . . . 0.0 114.823 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.8 m -144.9 159.36 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 125.213 1.405 . . . . 0.0 112.978 -177.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 48.1 tpp -80.3 65.08 5.33 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.33 1.052 . . . . 0.0 110.857 175.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 56.2 tp -55.71 -25.15 38.69 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.132 1.373 . . . . 0.0 113.202 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.41 -18.6 51.87 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.287 1.035 . . . . 0.0 113.339 175.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 1.8 p -71.62 -13.16 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.243 1.017 . . . . 0.0 112.627 176.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -132.64 -25.34 1.9 Allowed 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -73.72 124.1 25.37 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.026 -1.046 . . . . 0.0 113.102 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -85.96 93.72 1.88 Allowed Glycine 0 CA--C 1.532 1.137 0 C-N-CA 125.354 1.454 . . . . 0.0 111.923 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 7.3 mm -67.83 103.26 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.999 1.32 . . . . 0.0 111.73 -176.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -74.52 61.05 0.91 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.914 2.086 . . . . 0.0 113.225 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 tt . . . . . 0 N--CA 1.475 0.82 0 C-N-CA 124.623 1.169 . . . . 0.0 111.712 176.751 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 34.7 ttm105 . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 71.7 mt -76.88 -40.62 46.88 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.244 1.017 . . . . 0.0 110.908 175.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 62.8 m -65.81 -49.64 67.51 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.697 0.799 . . . . 0.0 112.28 178.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 16.0 tt -56.49 -49.44 77.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.195 1.398 . . . . 0.0 112.437 -179.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -63.91 -37.57 87.89 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 118.992 0.815 . . . . 0.0 112.287 178.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -61.24 -51.96 66.74 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.839 1.256 . . . . 0.0 110.703 175.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 85.7 m -57.83 -40.86 81.06 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.748 0.819 . . . . 0.0 111.206 176.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 42.2 mt -60.99 -31.3 49.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 O-C-N 121.292 -0.88 . . . . 0.0 112.525 177.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -63.56 -44.72 93.3 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 120.49 1.495 . . . . 0.0 110.084 174.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 34.8 m -63.53 -35.93 82.12 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.412 1.085 . . . . 0.0 111.881 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 57.7 tp -61.62 -44.84 96.25 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.902 1.281 . . . . 0.0 111.051 176.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 59.0 t -59.66 -50.57 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-O 118.454 -0.784 . . . . 0.0 109.454 175.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 38.3 t60 -53.48 -57.0 12.27 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.316 0.962 . . . . 0.0 111.032 177.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -55.38 -36.11 66.01 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 8.9 p -73.54 -15.8 61.29 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -114.4 -13.74 12.24 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.067 1.347 . . . . 0.0 114.229 178.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 12.5 t -64.04 113.45 3.51 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.472 1.509 . . . . 0.0 111.554 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -3.01 19.76 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 116.32 1.97 . . . . 0.0 116.32 -176.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 30.5 t30 -137.13 111.04 8.21 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.835 1.198 . . . . 0.0 112.055 -178.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.39 -15.05 14.38 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 178.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -91.98 6.54 45.93 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 126.294 1.838 . . . . 0.0 113.503 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 53.7 t -45.39 130.34 8.4 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 127.144 2.178 . . . . 0.0 112.179 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 14.8 m -66.78 -6.08 14.6 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 116.388 1.996 . . . . 0.0 116.388 -174.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 15.7 tp -78.38 124.04 85.65 Favored Pre-proline 0 CA--C 1.55 0.968 0 CA-C-N 120.308 1.413 . . . . 0.0 111.651 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -50.61 -42.59 49.2 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 123.478 2.785 . . . . 0.0 114.911 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 49.9 m -72.16 -37.24 69.4 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -178.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 38.5 t -59.2 -51.48 69.83 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.585 1.154 . . . . 0.0 108.977 175.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -50.3 -49.23 54.22 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.414 1.486 . . . . 0.0 112.051 175.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 83.2 mttt -60.74 -50.09 74.86 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.948 1.299 . . . . 0.0 111.621 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -40.82 81.82 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.096 0.958 . . . . 0.0 112.494 176.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -53.56 -39.96 65.18 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.909 0.884 . . . . 0.0 112.316 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -60.8 -56.31 22.68 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 119.261 0.937 . . . . 0.0 112.002 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 26.9 m -66.46 -36.75 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 3.0 p -67.83 -40.01 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 119.966 1.257 . . . . 0.0 110.939 177.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -63.05 -29.89 71.17 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.637 0.775 . . . . 0.0 111.595 174.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.7 t60 -67.43 -67.59 0.45 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.54 0.736 . . . . 0.0 109.596 174.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 6.2 t -55.75 -33.93 64.75 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 115.016 1.488 . . . . 0.0 115.016 -174.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.83 -15.79 62.67 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 178.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -125.17 -9.04 5.28 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 125.284 1.421 . . . . 0.0 116.178 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 52.4 t -56.88 137.07 55.65 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.654 1.582 . . . . 0.0 112.048 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -91.09 -1.08 57.83 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.932 1.693 . . . . 0.0 113.002 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -115.16 -58.97 2.07 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.182 1.793 . . . . 0.0 111.959 -179.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 46.9 mtpt 53.8 -176.55 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.493 2.317 . . . . 0.0 114.213 -177.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 20.0 p -54.67 -40.55 69.21 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.014 1.325 . . . . 0.0 113.166 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -62.2 -21.05 64.81 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.247 1.019 . . . . 0.0 113.582 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -105.3 -2.99 41.42 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 125.989 1.757 . . . . 0.0 113.57 176.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 94.82 10.46 57.67 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.773 1.654 . . . . 0.0 116.061 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 14.0 t -59.28 120.9 52.0 Favored Pre-proline 0 CA--C 1.551 1.015 0 CA-C-N 119.421 1.61 . . . . 0.0 111.935 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -69.01 -40.48 6.43 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.815 2.343 . . . . 0.0 114.206 -177.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 61.2 t -58.06 -56.31 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 119.808 1.186 . . . . 0.0 111.361 -178.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 37.0 m -52.07 -45.6 64.84 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.378 1.471 . . . . 0.0 111.149 178.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.43 -49.35 77.61 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.101 1.36 . . . . 0.0 110.931 176.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -60.43 -39.66 88.25 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.089 0.859 . . . . 0.0 112.144 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.85 -50.06 70.32 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-O 121.414 0.626 . . . . 0.0 110.286 176.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 62.3 mt -61.34 -29.98 47.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 125.207 1.403 . . . . 0.0 112.283 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -57.43 -47.16 82.51 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 120.029 1.286 . . . . 0.0 111.244 175.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 9.1 mp -67.62 -40.98 84.67 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.976 0.91 . . . . 0.0 110.93 175.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 74.6 m -58.79 -40.91 85.41 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 122.818 0.447 . . . . 0.0 110.989 175.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 44.6 t -64.71 -50.78 65.61 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.3 1.44 . . . . 0.0 111.212 176.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 47.2 t80 -56.39 -42.4 77.87 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.702 0.801 . . . . 0.0 111.257 176.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 41.7 t60 -61.65 -58.71 7.01 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.248 1.019 . . . . 0.0 110.192 174.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -53.17 -32.13 46.17 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.181 1.792 . . . . 0.0 114.827 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -56.5 -47.49 79.17 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.792 1.637 . . . . 0.0 110.922 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -90.12 -25.19 20.84 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.448 1.499 . . . . 0.0 114.385 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 17.8 t -66.07 161.81 20.88 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.963 1.305 . . . . 0.0 113.526 -179.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.59 -0.03 0.56 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 127.199 2.2 . . . . 0.0 114.504 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -68.11 114.33 6.53 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.747 -1.221 . . . . 0.0 111.087 178.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 31.5 t30 -62.99 -17.93 62.71 Favored 'General case' 0 CA--C 1.551 1.015 0 O-C-N 120.594 -1.316 . . . . 0.0 113.754 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 96.7 mttt -131.52 32.97 4.1 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 127.176 2.19 . . . . 0.0 113.05 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 5.7 t -45.75 135.33 6.28 Favored Pre-proline 0 CA--C 1.554 1.126 0 C-N-CA 126.365 1.866 . . . . 0.0 112.451 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -64.02 -23.78 67.37 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 122.693 2.262 . . . . 0.0 114.327 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 87.4 t -71.3 120.36 79.2 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 124.787 1.235 . . . . 0.0 109.183 176.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -65.65 -41.87 13.71 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.817 2.344 . . . . 0.0 114.089 -176.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -71.42 -30.0 65.55 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 179.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 38.3 t -49.87 -65.89 0.49 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.109 1.364 . . . . 0.0 110.949 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 69.4 mt -51.21 -40.66 59.23 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.506 1.522 . . . . 0.0 113.734 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -62.35 -50.01 73.29 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.187 0.595 . . . . 0.0 109.953 176.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 8.3 mm -59.87 -47.01 93.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-O 118.77 -0.633 . . . . 0.0 110.425 175.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -53.58 -45.84 70.11 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.789 1.177 . . . . 0.0 111.073 177.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 55.2 t60 -57.34 -51.57 68.84 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.677 0.791 . . . . 0.0 110.669 176.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 14.2 mptt -54.63 -47.39 73.54 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.414 1.086 . . . . 0.0 111.502 175.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 5.8 mp -61.77 -50.32 72.85 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.371 1.869 . . . . 0.0 113.412 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? . . . . . 0 N--CA 1.476 0.851 0 CA-C-N 118.803 0.729 . . . . 0.0 112.716 179.478 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 CA--C 1.545 0.759 0 CA-C-O 120.938 0.399 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -152.62 133.03 7.53 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 126.158 1.783 . . . . 0.0 109.54 175.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -65.91 -15.61 49.53 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 122.775 2.317 . . . . 0.0 115.342 -177.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -95.13 -12.07 27.1 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.671 1.189 . . . . 0.0 112.977 178.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -59.48 -30.53 68.61 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -174.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.36 -38.18 90.14 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.549 1.14 . . . . 0.0 111.307 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.4 -50.88 23.26 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.427 1.091 . . . . 0.0 110.271 176.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 59.4 t -55.37 -42.99 69.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 123.674 0.79 . . . . 0.0 111.815 178.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 70.9 m -53.76 -39.48 65.41 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -73.36 -17.71 61.25 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.698 1.135 . . . . 0.0 113.124 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 7.5 mt -90.05 -57.36 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.59 1.156 . . . . 0.0 109.212 175.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -151.88 101.32 2.86 Favored Pre-proline 0 CA--C 1.551 1.019 0 C-N-CA 126.828 2.051 . . . . 0.0 111.45 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -74.36 175.14 11.39 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 122.846 2.364 . . . . 0.0 111.109 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -75.1 -18.3 60.29 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.634 -1.291 . . . . 0.0 113.128 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 25.5 p -74.11 -51.07 16.79 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.19 1.796 . . . . 0.0 113.781 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 32.8 m -139.82 157.06 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.68 1.592 . . . . 0.0 112.817 -178.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 42.8 ttm -82.12 62.07 5.69 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.579 1.152 . . . . 0.0 110.502 176.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 65.5 tp -47.57 -29.99 3.27 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.264 2.226 . . . . 0.0 114.326 -177.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.85 -19.55 18.1 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.51 1.124 . . . . 0.0 113.968 176.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.7 p -72.15 -20.02 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.054 0.942 . . . . 0.0 112.803 176.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -126.1 -18.48 5.01 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -178.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -120.53 111.24 17.43 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.581 1.552 . . . . 0.0 110.612 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.0 163.32 31.75 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.291 0.948 . . . . 0.0 114.375 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 38.4 mt -101.8 105.64 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 127.078 2.151 . . . . 0.0 108.28 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -75.01 65.4 1.44 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.464 1.106 . . . . 0.0 113.175 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 38.7 tp . . . . . 0 CA--C 1.552 1.05 0 C-N-CA 127.74 2.416 . . . . 0.0 113.811 177.481 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1770 ' ' ARG . . . . . 0.45 ' NH1' HE22 ' A' 1774 ' ' GLN . 44.4 ttp85 . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.73 -43.23 84.76 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.323 0.649 . . . . 0.0 111.043 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 69.4 m -59.52 -45.99 90.16 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.499 0.72 . . . . 0.0 111.44 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 62.7 mt -54.28 -63.68 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 126.218 1.807 . . . . 0.0 110.282 177.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1774 ' ' GLN . . . . . 0.45 HE22 ' NH1' ' A' 1770 ' ' ARG . 5.5 pt20 -60.61 -35.65 76.67 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -177.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 83.5 mmt-85 -64.94 -53.66 42.93 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.112 0.869 . . . . 0.0 110.538 175.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 33.5 t -61.05 -27.99 68.74 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.559 0.743 . . . . 0.0 112.567 177.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 32.6 mt -65.31 -28.54 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 O-C-N 120.493 -1.38 . . . . 0.0 111.442 175.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -63.54 -44.38 94.38 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.651 -1.28 . . . . 0.0 109.539 174.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 1.5 m -59.88 -42.1 93.01 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.476 1.91 . . . . 0.0 110.79 175.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 5.9 tt -58.58 -56.0 27.74 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.662 1.985 . . . . 0.0 110.429 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 99.2 t -55.58 -51.53 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.718 0.807 . . . . 0.0 110.567 177.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 35.5 t60 -53.07 -56.29 17.32 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.43 0.692 . . . . 0.0 111.434 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -55.67 -31.66 62.57 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 95.6 m -75.54 -14.29 60.4 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 177.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -118.34 -14.8 9.76 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.986 1.314 . . . . 0.0 114.163 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 9.6 t -66.68 121.46 15.45 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.141 1.376 . . . . 0.0 111.663 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -75.3 -8.54 56.91 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.325 1.85 . . . . 0.0 115.462 -177.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 30.3 t30 -137.34 114.25 10.59 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.886 1.221 . . . . 0.0 113.28 -176.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.79 -16.23 26.5 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -91.23 9.02 33.0 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.269 1.828 . . . . 0.0 113.335 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 47.4 t -47.92 138.54 8.77 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.105 2.162 . . . . 0.0 111.714 178.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 81.0 p -72.93 -10.35 59.7 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 115.494 1.665 . . . . 0.0 115.494 -177.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 26.9 tp -74.09 120.24 80.34 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-N 121.016 1.734 . . . . 0.0 112.339 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -49.82 -42.08 45.1 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 123.393 2.729 . . . . 0.0 113.778 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.6 -49.18 78.43 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.307 1.043 . . . . 0.0 112.208 177.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 38.0 t -58.34 -55.24 37.51 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.793 1.637 . . . . 0.0 109.921 177.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -48.89 -55.46 11.69 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.449 1.5 . . . . 0.0 112.799 178.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 89.0 mttt -59.1 -50.35 74.41 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.749 1.22 . . . . 0.0 111.808 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 53.3 tpp -60.0 -42.58 94.56 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.194 1.397 . . . . 0.0 113.245 179.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -49.04 -44.18 41.33 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.049 1.34 . . . . 0.0 113.152 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -57.16 -47.95 79.92 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.72 0.808 . . . . 0.0 111.845 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 5.1 t -69.49 -40.31 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.387 1.075 . . . . 0.0 111.74 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 54.1 t -59.49 -44.97 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.046 0.939 . . . . 0.0 109.947 175.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -66.47 -29.65 69.81 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.229 1.011 . . . . 0.0 112.281 176.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 10.6 t60 -71.56 -62.36 1.44 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.92 0.888 . . . . 0.0 110.669 176.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 5.3 t -54.75 -33.85 61.74 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -175.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -71.62 -10.04 59.16 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 178.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -137.58 1.62 2.96 Favored Glycine 0 CA--C 1.538 1.498 0 N-CA-C 117.046 1.578 . . . . 0.0 117.046 -177.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 46.2 t -58.78 141.58 52.61 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.356 1.578 . . . . 0.0 113.091 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -82.25 -8.45 59.64 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.296 1.839 . . . . 0.0 112.775 179.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 72.2 mtt-85 -117.82 -57.09 2.14 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.623 1.969 . . . . 0.0 112.138 178.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1812 ' ' LYS . . . . . . . . . . . . 0.354 53.7 pttt 52.78 -168.56 0.05 OUTLIER 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.976 2.11 . . . . 0.0 112.719 -169.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 60.0 p -49.55 -52.95 26.35 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.097 1.359 . . . . 0.0 113.843 -177.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -66.95 -18.31 65.32 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -94.01 2.46 69.08 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 125.583 1.563 . . . . 0.0 113.516 177.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 85.15 6.94 84.0 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 125.657 1.599 . . . . 0.0 115.841 178.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 45.2 t -66.55 118.74 56.94 Favored Pre-proline 0 CA--C 1.555 1.162 0 CA-C-N 119.117 1.458 . . . . 0.0 111.088 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.58 -32.66 14.8 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.878 2.386 . . . . 0.0 113.666 -177.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 47.2 t -54.13 -60.13 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.057 1.343 . . . . 0.0 110.273 179.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 36.4 m -56.22 -45.52 79.89 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.538 1.535 . . . . 0.0 110.891 177.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -45.26 71.11 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 117.466 -1.254 . . . . 0.0 112.913 178.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -58.79 -55.14 38.9 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 120.568 1.531 . . . . 0.0 111.974 177.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 15.9 tp -62.34 -48.25 80.62 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.004 0.922 . . . . 0.0 112.015 -179.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 45.9 mm -64.11 -36.19 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 O-C-N 121.066 -1.021 . . . . 0.0 111.488 177.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -59.91 -47.06 87.32 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 120.48 1.491 . . . . 0.0 111.309 175.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 7.3 mp -62.27 -40.67 97.01 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.344 0.657 . . . . 0.0 110.664 175.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 24.4 t -60.61 -40.26 91.2 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.687 -0.633 . . . . 0.0 111.159 174.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 96.3 m -62.46 -46.9 86.42 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.242 -0.911 . . . . 0.0 110.977 175.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 36.6 t80 -58.89 -42.31 89.23 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.53 0.732 . . . . 0.0 111.171 176.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 36.2 t60 -60.19 -59.85 4.76 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.147 0.979 . . . . 0.0 110.052 175.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -53.32 -33.46 53.48 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.058 1.743 . . . . 0.0 114.462 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -56.23 -46.58 79.5 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.84 1.656 . . . . 0.0 111.167 177.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 43.0 m80 -90.23 -24.53 20.95 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.443 1.897 . . . . 0.0 114.413 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1834 ' ' CYS . . . . . 0.439 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 8.9 t -63.98 160.41 17.91 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.441 1.496 . . . . 0.0 113.256 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -148.16 -4.19 0.48 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.812 1.645 . . . . 0.0 115.199 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -75.17 116.74 16.23 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.778 -1.201 . . . . 0.0 111.403 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 39.7 t30 -61.32 -17.16 52.42 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 -178.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -133.8 40.0 3.12 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 127.045 2.138 . . . . 0.0 112.633 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 19.2 t -51.93 137.06 36.45 Favored Pre-proline 0 CA--C 1.558 1.264 0 C-N-CA 126.062 1.745 . . . . 0.0 111.701 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -64.51 -21.72 65.81 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.468 2.779 . . . . 0.0 114.942 -177.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 98.9 t -69.82 122.63 86.57 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 124.331 1.052 . . . . 0.0 108.938 177.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -64.58 -45.75 8.38 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.856 2.37 . . . . 0.0 114.551 -175.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -74.3 -25.52 59.63 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.917 1.081 . . . . 0.0 113.917 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 49.4 t -46.26 -64.7 0.69 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.501 1.92 . . . . 0.0 112.183 -178.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 60.0 mt -53.93 -36.86 63.23 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.258 1.423 . . . . 0.0 113.396 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 53.9 t30 -65.04 -46.61 80.55 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.645 0.657 . . . . 0.0 110.296 175.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 10.2 mm -58.13 -48.12 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-O 118.798 -0.62 . . . . 0.0 110.076 176.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1848 ' ' LYS . . . . . 0.439 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 69.9 mttt -52.58 -48.24 66.34 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.465 1.029 . . . . 0.0 111.237 176.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 58.0 t60 -58.03 -48.28 80.56 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.095 0.958 . . . . 0.0 111.553 178.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 10.3 mptt -57.56 -48.12 80.21 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.704 1.602 . . . . 0.0 111.019 175.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 5.3 mp -56.35 -45.22 80.53 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.712 1.605 . . . . 0.0 111.746 176.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? . . . . . 0 N--CA 1.478 0.939 0 C-N-CA 123.888 0.875 . . . . 0.0 113.274 178.182 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 . . . . . 0 CA--C 1.544 0.727 0 CA-C-O 121.065 0.46 . . . . 0.0 111.64 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -155.48 150.23 20.37 Favored Pre-proline 0 CA--C 1.544 0.747 0 C-N-CA 126.628 1.971 . . . . 0.0 110.004 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -72.46 -13.38 27.68 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 122.372 2.048 . . . . 0.0 114.509 -176.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -83.01 -28.07 29.92 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -59.56 -29.21 67.77 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.406 1.082 . . . . 0.0 112.969 -177.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -62.37 -42.03 99.09 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.208 1.803 . . . . 0.0 110.84 176.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.13 -47.37 44.73 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.44 1.096 . . . . 0.0 110.526 174.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 83.5 t -52.94 -47.58 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.257 1.023 . . . . 0.0 110.997 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 69.0 m -50.62 -43.12 56.78 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.62 1.568 . . . . 0.0 114.968 -178.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -75.24 -13.66 60.46 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 14.1 mt -90.14 -52.67 10.27 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 C-N-CA 125.44 1.496 . . . . 0.0 108.338 173.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -158.03 110.21 1.75 Allowed Pre-proline 0 CA--C 1.554 1.106 0 C-N-CA 129.352 3.061 . . . . 0.0 112.709 176.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -79.78 175.76 10.19 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 123.12 2.547 . . . . 0.0 111.335 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -77.9 -27.25 49.53 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 120.864 -1.148 . . . . 0.0 113.002 178.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 17.6 m -66.56 -42.12 87.56 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.508 1.523 . . . . 0.0 114.698 -177.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 27.9 m -145.16 155.29 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.391 1.476 . . . . 0.0 112.273 -178.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 91.1 mmm -80.29 65.13 5.34 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.084 0.954 . . . . 0.0 110.821 175.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 42.2 tp -53.04 -25.55 12.88 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.718 1.607 . . . . 0.0 112.109 177.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.37 -30.09 17.69 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.486 1.914 . . . . 0.0 114.247 176.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 2.5 p -73.97 -8.89 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -133.53 12.83 4.12 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.182 1.793 . . . . 0.0 113.977 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -135.98 159.69 40.91 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.354 1.462 . . . . 0.0 112.142 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -142.18 171.56 24.54 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.638 1.589 . . . . 0.0 113.312 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 29.9 mm -118.95 127.93 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 126.024 1.73 . . . . 0.0 112.046 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -76.96 65.56 2.65 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.595 1.958 . . . . 0.0 110.857 175.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 62.0 tp . . . . . 0 N--CA 1.473 0.681 0 C-N-CA 125.631 1.572 . . . . 0.0 112.58 178.832 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 . . . . . 0 N--CA 1.478 0.969 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 41.2 mt -75.83 -43.48 45.78 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.341 1.056 . . . . 0.0 110.4 174.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 59.5 m -62.85 -47.02 85.2 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.233 -0.917 . . . . 0.0 112.725 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 19.6 tt -57.32 -51.36 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 O-C-N 121.135 -0.978 . . . . 0.0 111.572 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -64.55 -33.1 75.11 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.078 0.853 . . . . 0.0 112.868 178.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -66.08 -51.23 60.03 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.17 0.988 . . . . 0.0 110.82 175.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1776 ' ' CYS . . . . . 0.407 ' HG ' HD11 ' B' ' 65' ' ' ILE . 37.1 t -57.24 -37.0 71.63 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 119.032 0.833 . . . . 0.0 111.145 175.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 35.4 mt -60.86 -27.35 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 C-N-CA 124.334 1.054 . . . . 0.0 112.629 175.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -65.2 -45.79 83.34 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.506 1.503 . . . . 0.0 109.826 173.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 16.4 m -58.69 -40.35 83.37 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.065 1.346 . . . . 0.0 111.115 174.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 62.3 tp -59.52 -53.21 60.71 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.97 1.308 . . . . 0.0 110.669 175.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 83.0 t -55.67 -50.79 65.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.652 177.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 36.3 t60 -52.63 -57.71 9.17 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.986 0.812 . . . . 0.0 111.126 178.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.66 -28.53 63.84 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 85.4 m -77.66 -16.29 58.62 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 176.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -114.49 -16.42 11.91 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 10.2 t -64.16 130.06 42.43 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.979 1.712 . . . . 0.0 111.926 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.94 -10.68 59.8 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.744 1.618 . . . . 0.0 115.123 -177.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 33.4 t30 -136.77 113.51 10.29 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.434 1.094 . . . . 0.0 113.324 -175.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -57.68 -17.31 14.21 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 177.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -87.52 -1.15 57.74 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.438 1.495 . . . . 0.0 113.917 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 52.3 t -46.85 113.06 0.59 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 127.191 2.196 . . . . 0.0 111.378 178.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 91.9 p -67.34 -3.36 7.94 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 116.705 2.113 . . . . 0.0 116.705 -173.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 19.1 tp -61.71 122.32 70.56 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.306 1.443 . . . . 0.0 110.369 178.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -47.92 -40.86 32.94 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.534 2.823 . . . . 0.0 114.681 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 23.6 m -59.11 -53.21 60.88 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.161 1.385 . . . . 0.0 111.839 176.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 5.4 t -61.21 -53.68 53.87 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.286 1.834 . . . . 0.0 110.344 178.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -44.91 -60.4 2.07 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.4 1.88 . . . . 0.0 112.109 176.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 89.2 mttt -57.43 -56.74 18.0 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.1 0.96 . . . . 0.0 111.272 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 45.5 tpp -56.16 -39.11 71.81 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.677 1.191 . . . . 0.0 113.953 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -53.38 -41.12 65.57 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.055 -1.028 . . . . 0.0 113.02 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -56.93 -51.76 67.89 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 119.338 0.972 . . . . 0.0 111.971 178.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 30.5 m -71.72 -32.23 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 24.3 t -62.22 -46.79 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 O-C-N 121.19 -0.944 . . . . 0.0 109.838 174.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -62.98 -25.61 68.45 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.243 1.017 . . . . 0.0 112.366 175.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 13.2 t60 -71.67 -64.69 0.88 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.919 0.888 . . . . 0.0 110.765 175.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 14.9 t -54.06 -35.34 61.93 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -175.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -70.93 -11.65 61.09 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.911 1.448 . . . . 0.0 114.911 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -128.22 -10.49 3.39 Favored Glycine 0 CA--C 1.541 1.667 0 C-N-CA 125.277 1.418 . . . . 0.0 116.337 -178.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 45.9 t -57.69 131.82 51.4 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 119.189 1.494 . . . . 0.0 112.102 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -81.61 -6.5 59.06 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.034 1.734 . . . . 0.0 114.823 -176.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -127.66 -36.8 2.02 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 28.8 mtmm 48.93 -159.85 0.05 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.69 1.996 . . . . 0.0 113.699 -178.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 37.7 p -58.22 -30.06 66.2 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.889 1.275 . . . . 0.0 112.69 176.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 35.4 t30 -59.2 -41.49 88.67 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.816 1.246 . . . . 0.0 111.613 176.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -90.02 -2.53 74.55 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 125.524 1.535 . . . . 0.0 113.813 175.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 88.12 19.0 54.7 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 125.802 1.668 . . . . 0.0 116.094 177.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 8.0 t -57.36 114.47 8.29 Favored Pre-proline 0 CA--C 1.554 1.109 0 CA-C-N 119.109 1.454 . . . . 0.0 113.161 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.83 -41.95 72.13 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 124.0 3.133 . . . . 0.0 114.701 -178.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 31.8 t -58.5 -54.63 30.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 124.115 0.966 . . . . 0.0 110.45 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 34.0 m -59.01 -45.77 89.85 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.431 1.492 . . . . 0.0 110.405 177.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1821 ' ' LYS . . . . . 0.432 ' O ' ' HE2' ' A' 1821 ' ' LYS . 0.0 OUTLIER -54.63 -47.67 73.18 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.394 1.078 . . . . 0.0 110.597 176.39 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -54.74 -49.2 71.39 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.051 0.841 . . . . 0.0 111.472 176.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 28.5 mt -64.39 -43.44 94.46 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 119.162 -0.447 . . . . 0.0 111.887 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 27.4 mm -66.1 -35.2 74.46 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 119.072 0.851 . . . . 0.0 111.291 175.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -61.3 -54.31 45.52 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.682 1.193 . . . . 0.0 111.256 176.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 8.6 mp -64.26 -38.36 90.78 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.25 0.62 . . . . 0.0 111.034 177.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 42.8 t -60.68 -44.6 96.29 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.603 -0.686 . . . . 0.0 111.072 174.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 42.1 t -58.37 -51.23 70.67 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.211 1.004 . . . . 0.0 110.554 176.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 29.8 t80 -56.31 -45.61 80.19 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.528 0.731 . . . . 0.0 111.4 176.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 42.6 t60 -58.66 -60.02 4.48 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.876 0.87 . . . . 0.0 110.556 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -55.58 -30.24 60.5 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.172 1.789 . . . . 0.0 114.589 -178.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -57.37 -45.36 84.52 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.578 1.551 . . . . 0.0 110.764 176.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 43.7 m80 -89.87 -29.74 18.37 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.649 1.98 . . . . 0.0 114.371 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 26.8 t -64.18 155.55 31.37 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.601 1.561 . . . . 0.0 113.721 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -143.56 1.48 1.19 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 127.397 2.279 . . . . 0.0 113.497 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.49 122.34 19.49 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 120.389 -1.444 . . . . 0.0 111.366 -178.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 33.6 t30 -64.64 -25.64 68.04 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -129.73 35.08 4.22 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.347 2.259 . . . . 0.0 112.243 -178.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 7.2 t -45.43 131.99 6.1 Favored Pre-proline 0 CA--C 1.555 1.143 0 C-N-CA 126.367 1.867 . . . . 0.0 112.787 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -64.39 -23.19 65.44 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.285 2.657 . . . . 0.0 115.102 -177.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 88.6 t -66.54 115.89 28.8 Favored Pre-proline 0 N--CA 1.476 0.873 0 C-N-CA 124.853 1.261 . . . . 0.0 109.615 177.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -48.2 -52.27 8.62 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 124.351 3.367 . . . . 0.0 116.383 -176.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -80.74 -20.07 43.58 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -177.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 42.0 t -48.0 -63.09 1.16 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.419 1.487 . . . . 0.0 112.46 -177.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 58.2 mt -54.57 -36.02 63.92 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.325 1.05 . . . . 0.0 113.465 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 54.3 t30 -64.53 -46.73 81.6 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.869 0.759 . . . . 0.0 109.987 175.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 8.5 mm -59.25 -50.03 81.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 175.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -54.21 -44.37 71.57 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 119.284 0.947 . . . . 0.0 111.599 177.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 59.6 t60 -60.41 -48.48 81.56 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.031 0.932 . . . . 0.0 111.323 177.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 9.4 mptt -57.56 -46.26 84.17 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.785 1.634 . . . . 0.0 111.14 175.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 6.5 mp -58.93 -40.43 84.55 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.156 1.382 . . . . 0.0 112.076 176.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 54.0 mmm-85 . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 176.742 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 110.218 -0.289 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -145.25 117.86 5.31 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 125.101 1.36 . . . . 0.0 109.432 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -49.68 -30.86 23.5 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 123.734 2.956 . . . . 0.0 115.988 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -72.68 -20.47 61.23 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.49 1.116 . . . . 0.0 113.519 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -58.7 -33.84 70.62 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -175.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.25 -35.56 79.32 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.549 1.139 . . . . 0.0 111.437 178.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.23 -19.86 59.54 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.996 0.919 . . . . 0.0 112.811 176.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 17.0 t -79.06 -50.48 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 123.64 0.776 . . . . 0.0 109.117 175.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 72.9 m -47.26 -45.85 24.12 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.071 1.748 . . . . 0.0 115.601 -178.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -61.27 -25.39 67.06 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . 0.407 HD11 ' HG ' ' A' 1776 ' ' CYS . 7.1 mt -90.13 -53.9 8.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 C-N-CA 126.456 1.902 . . . . 0.0 108.505 177.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -157.41 114.11 1.89 Allowed Pre-proline 0 CA--C 1.554 1.114 0 C-N-CA 127.058 2.143 . . . . 0.0 111.772 177.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -77.24 175.83 10.86 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 123.104 2.536 . . . . 0.0 112.167 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -75.13 -20.5 59.37 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.968 -1.083 . . . . 0.0 113.062 178.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 31.4 p -71.1 -46.91 60.82 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.015 1.726 . . . . 0.0 113.92 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 33.5 m -139.74 149.83 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.519 1.528 . . . . 0.0 112.106 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 83.5 mtp -79.85 65.2 4.94 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.89 0.876 . . . . 0.0 111.077 176.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 10.6 tp -57.06 -17.01 8.57 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.429 1.492 . . . . 0.0 112.888 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.75 -29.31 11.12 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.803 2.041 . . . . 0.0 113.447 174.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 4.1 p -73.99 -8.73 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.005 1.322 . . . . 0.0 113.652 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -134.6 -25.37 1.48 Allowed 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -74.79 156.7 36.25 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.494 1.117 . . . . 0.0 112.522 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -124.23 155.88 18.19 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.997 1.761 . . . . 0.0 112.471 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 53.2 mt -128.33 121.81 56.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.26 1.424 . . . . 0.0 110.764 -176.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -80.86 65.57 6.05 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.572 1.549 . . . . 0.0 111.55 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.479 0.987 0 C-N-CA 127.124 2.17 . . . . 0.0 112.613 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 43.8 ttm105 . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.7 mp -67.94 -46.6 71.03 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.055 1.342 . . . . 0.0 110.939 176.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 74.0 m -58.06 -46.42 85.44 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.507 0.723 . . . . 0.0 111.412 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 34.3 mt -56.03 -61.23 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 126.672 1.989 . . . . 0.0 110.477 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -60.97 -38.33 85.57 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -177.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 19.3 mmt85 -61.49 -52.18 65.58 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.974 0.909 . . . . 0.0 110.15 175.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 37.3 t -55.9 -41.15 74.06 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.639 0.775 . . . . 0.0 111.068 175.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 53.6 mt -62.01 -32.77 55.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 O-C-N 121.134 -0.979 . . . . 0.0 112.823 176.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -62.32 -44.27 96.9 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.766 1.621 . . . . 0.0 110.076 174.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 22.0 m -63.38 -39.18 93.83 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.019 1.328 . . . . 0.0 111.796 176.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.27 -51.69 68.47 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.518 1.527 . . . . 0.0 110.072 176.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 80.9 t -56.42 -50.06 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.133 176.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 19.2 t60 -51.5 -59.41 4.28 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.951 0.796 . . . . 0.0 110.731 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.27 -26.44 60.82 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 91.6 m -81.9 -13.54 57.41 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 176.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -120.04 -13.93 8.94 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 14.7 t -58.25 123.97 17.86 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.202 1.801 . . . . 0.0 111.661 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -73.82 -7.06 50.74 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.767 2.027 . . . . 0.0 116.366 -176.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 27.3 t30 -140.23 114.99 9.53 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.598 1.159 . . . . 0.0 112.465 -176.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.95 -15.07 19.08 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 177.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -95.45 10.15 37.48 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 126.678 1.991 . . . . 0.0 113.672 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 46.5 t -44.52 137.37 3.78 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 127.369 2.267 . . . . 0.0 113.899 -178.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 20.2 m -78.82 -9.77 59.57 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.544 1.537 . . . . 0.0 114.928 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 1.7 tm? -70.55 115.67 37.56 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 126.063 1.745 . . . . 0.0 109.721 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -48.69 -41.31 38.12 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.505 2.804 . . . . 0.0 115.04 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 2.4 m -68.49 -35.9 78.16 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.399 0.68 . . . . 0.0 112.753 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 26.0 t -63.63 -51.22 66.17 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.133 1.373 . . . . 0.0 108.421 175.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -53.01 -48.82 67.25 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.948 1.299 . . . . 0.0 111.509 175.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 87.5 mttt -57.12 -51.4 69.46 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.863 1.265 . . . . 0.0 111.27 175.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -41.93 75.35 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.063 0.945 . . . . 0.0 112.741 177.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -52.45 -30.78 31.39 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 117.639 -1.172 . . . . 0.0 113.469 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -63.51 -59.74 4.26 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 119.994 1.27 . . . . 0.0 111.17 175.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 35.9 m -65.01 -32.95 60.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 53.6 t -62.85 -46.98 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.113 0.965 . . . . 0.0 109.611 174.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.06 -30.17 70.8 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.593 1.157 . . . . 0.0 111.87 175.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 9.4 t60 -71.28 -65.65 0.72 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.059 0.944 . . . . 0.0 111.082 177.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 7.3 t -54.75 -33.64 61.5 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -175.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -70.13 -11.96 61.26 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 177.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -135.61 -0.13 3.32 Favored Glycine 0 CA--C 1.538 1.476 0 N-CA-C 116.862 1.505 . . . . 0.0 116.862 -177.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 44.2 t -57.28 130.05 44.49 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.564 1.682 . . . . 0.0 112.717 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -74.91 -10.44 59.5 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.872 1.669 . . . . 0.0 114.339 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -130.3 -33.04 1.73 Allowed 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -178.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1812 ' ' LYS . . . . . 0.417 ' HG2' ' H ' ' A' 1813 ' ' THR . 21.6 tttp 51.9 -161.74 0.09 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.361 1.864 . . . . 0.0 113.123 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1813 ' ' THR . . . . . 0.417 ' H ' ' HG2' ' A' 1812 ' ' LYS . 17.6 p -60.44 -28.4 68.27 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.494 -1.379 . . . . 0.0 112.452 175.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 33.9 t30 -58.59 -42.69 88.65 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.963 1.305 . . . . 0.0 111.623 176.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -89.22 -3.71 75.35 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 125.178 1.37 . . . . 0.0 114.028 176.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 88.26 22.15 42.3 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 125.532 1.539 . . . . 0.0 115.907 177.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 8.0 t -57.77 122.88 60.08 Favored Pre-proline 0 CA--C 1.554 1.12 0 CA-C-N 118.799 1.299 . . . . 0.0 112.947 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.69 -44.11 48.44 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 123.257 2.638 . . . . 0.0 114.491 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 11.8 t -60.58 -56.13 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 123.852 0.861 . . . . 0.0 110.761 -177.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 17.4 m -53.81 -49.77 67.62 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 126.178 1.791 . . . . 0.0 110.018 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.81 -48.73 77.3 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 118.894 0.77 . . . . 0.0 111.429 176.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -59.83 -44.07 94.23 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.858 0.863 . . . . 0.0 112.232 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 7.7 mt -62.44 -54.05 45.87 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.723 0.692 . . . . 0.0 110.479 175.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 36.3 mm -55.71 -38.79 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 124.033 0.933 . . . . 0.0 111.818 178.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -57.71 -52.77 64.07 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.757 1.162 . . . . 0.0 111.334 176.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.75 -45.44 89.83 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.831 1.252 . . . . 0.0 111.55 177.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 99.2 m -58.44 -39.35 79.59 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.897 0.771 . . . . 0.0 111.216 174.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 49.8 t -67.46 -48.04 68.38 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.406 1.083 . . . . 0.0 111.297 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 5.7 t80 -58.19 -40.46 81.6 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.402 0.546 . . . . 0.0 110.749 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 39.9 t60 -61.26 -58.59 7.68 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.061 0.944 . . . . 0.0 110.078 173.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -52.5 -33.71 46.24 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.815 1.646 . . . . 0.0 114.297 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -54.6 -48.76 71.78 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.357 1.863 . . . . 0.0 111.121 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -90.24 -21.13 22.27 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.875 1.67 . . . . 0.0 114.875 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 6.7 t -63.94 165.02 9.39 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.629 1.171 . . . . 0.0 113.964 -178.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -151.59 -6.65 0.24 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.258 1.823 . . . . 0.0 115.393 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -72.63 122.49 21.5 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.753 -1.217 . . . . 0.0 112.164 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 35.1 t30 -64.74 -17.86 64.52 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -136.28 42.67 2.54 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.947 2.099 . . . . 0.0 112.324 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 10.7 t -53.46 136.46 52.02 Favored Pre-proline 0 CA--C 1.559 1.29 0 C-N-CA 125.438 1.495 . . . . 0.0 111.791 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -64.27 -25.14 64.67 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 123.309 2.673 . . . . 0.0 114.841 -177.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 91.0 t -68.2 118.53 59.98 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 124.392 1.077 . . . . 0.0 108.744 177.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -65.24 -36.14 37.7 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.687 2.258 . . . . 0.0 114.1 -175.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -76.51 -29.34 56.74 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 44.4 t -48.85 -64.97 0.65 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.691 1.596 . . . . 0.0 111.393 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 1.3 mp -50.49 -42.88 55.25 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 126.244 1.818 . . . . 0.0 113.347 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -62.39 -48.78 78.23 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.718 0.807 . . . . 0.0 110.38 177.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 8.3 mm -58.49 -45.16 90.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-O 118.338 -0.839 . . . . 0.0 110.794 175.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 65.3 mttt -51.65 -45.37 63.33 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-N 120.147 1.339 . . . . 0.0 111.62 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 50.7 t60 -59.76 -50.86 72.16 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.403 0.681 . . . . 0.0 110.941 176.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 14.2 mptt -56.34 -42.1 77.15 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.917 0.887 . . . . 0.0 111.759 176.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.6 mp -61.28 -42.54 98.81 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.597 1.559 . . . . 0.0 112.072 176.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 176.884 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 . . . . . 0 CA--C 1.541 0.602 0 CA-C-O 121.135 0.493 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -150.44 133.62 8.63 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 124.526 1.13 . . . . 0.0 110.22 -178.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -65.8 -14.61 45.47 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 122.832 2.355 . . . . 0.0 115.254 -176.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -90.45 -16.98 27.96 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.992 0.917 . . . . 0.0 113.251 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -57.96 -32.15 67.56 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -174.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -64.91 -48.04 75.6 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.996 1.318 . . . . 0.0 111.103 177.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.12 -24.53 67.45 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.307 1.043 . . . . 0.0 113.079 177.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 64.1 t -80.98 -48.61 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.724 1.21 . . . . 0.0 109.783 175.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 12.2 t -46.14 -46.34 17.12 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.72 2.008 . . . . 0.0 114.409 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -62.44 -24.71 67.58 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 178.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 11.3 mt -90.03 -53.08 9.73 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 127.135 2.174 . . . . 0.0 108.524 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -155.08 108.61 2.28 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 127.47 2.308 . . . . 0.0 111.786 176.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -79.21 177.92 8.06 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 122.998 2.465 . . . . 0.0 111.396 177.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -75.22 -30.12 60.48 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -177.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 23.5 m -71.61 -39.92 70.14 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -176.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.9 m -143.49 157.3 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.834 1.254 . . . . 0.0 113.0 -177.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 51.1 ttm -80.46 66.69 6.05 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.388 1.075 . . . . 0.0 110.336 175.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 40.5 tp -58.41 -21.85 52.13 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.65 1.18 . . . . 0.0 112.858 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.37 -40.37 49.31 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.114 1.366 . . . . 0.0 114.188 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 35.0 m -67.17 -8.97 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 CA-C-N 120.642 1.564 . . . . 0.0 113.477 177.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -116.59 3.88 13.15 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 128.099 2.559 . . . . 0.0 112.713 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -130.79 174.44 9.96 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.772 1.629 . . . . 0.0 113.12 -173.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.62 162.99 31.92 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 126.023 1.773 . . . . 0.0 112.295 177.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 66.7 mt -123.08 115.12 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 125.873 1.669 . . . . 0.0 108.785 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -77.99 56.85 1.66 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.341 1.056 . . . . 0.0 112.754 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 10.5 tt . . . . . 0 N--CA 1.476 0.829 0 C-N-CA 124.938 1.295 . . . . 0.0 112.419 179.081 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.5 mp -74.88 -46.39 36.51 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.915 0.886 . . . . 0.0 110.332 175.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 59.0 m -61.67 -47.67 84.26 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.636 0.774 . . . . 0.0 112.657 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 16.6 tt -57.07 -49.96 77.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.744 0.818 . . . . 0.0 111.498 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -66.5 -41.98 88.09 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.063 0.847 . . . . 0.0 112.484 178.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 72.2 mmt-85 -57.07 -46.53 82.43 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.465 1.03 . . . . 0.0 111.572 176.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 42.9 t -61.96 -40.93 97.26 Favored 'General case' 0 CA--C 1.543 0.712 0 O-C-N 122.014 -0.429 . . . . 0.0 110.74 174.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 45.0 mt -60.71 -36.65 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.091 0.956 . . . . 0.0 112.483 176.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -58.01 -45.67 86.52 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 120.693 1.588 . . . . 0.0 109.982 173.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 52.9 m -68.12 -31.13 70.51 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 58.6 tp -62.72 -50.86 69.44 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.332 1.053 . . . . 0.0 109.492 174.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 92.6 t -56.08 -48.48 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 123.7 0.8 . . . . 0.0 109.929 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 28.3 t60 -52.96 -59.66 4.25 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.756 0.822 . . . . 0.0 110.749 176.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -56.25 -31.01 63.16 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 88.9 m -71.87 -16.33 62.14 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 177.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -118.45 -15.58 9.63 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.064 1.346 . . . . 0.0 114.194 177.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 11.9 t -51.41 113.69 1.03 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.503 2.321 . . . . 0.0 112.503 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -69.39 -20.06 63.82 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.752 2.021 . . . . 0.0 115.239 -175.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 34.0 t30 -123.34 110.52 15.27 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.256 1.423 . . . . 0.0 112.429 -176.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -56.95 -17.54 10.04 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 178.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -90.54 -0.01 57.51 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.809 1.644 . . . . 0.0 114.384 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 48.6 t -40.86 108.66 0.09 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 127.256 2.222 . . . . 0.0 112.468 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 79.6 p -71.22 1.48 5.97 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 116.908 2.188 . . . . 0.0 116.908 -173.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 20.9 tp -60.96 123.74 76.7 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 124.857 1.263 . . . . 0.0 108.704 177.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -45.13 -44.65 15.32 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.502 2.802 . . . . 0.0 114.935 -177.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 37.3 m -71.04 -42.18 69.84 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 5.6 t -58.7 -45.83 88.65 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.922 1.289 . . . . 0.0 109.528 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -50.58 -47.39 57.95 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.793 1.237 . . . . 0.0 112.235 175.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -66.51 -51.95 51.16 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 119.344 0.975 . . . . 0.0 111.09 177.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 53.0 tpp -53.7 -41.76 67.29 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 126.283 1.833 . . . . 0.0 113.229 -177.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.72 -47.77 50.36 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.339 1.456 . . . . 0.0 112.865 178.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -60.07 -47.24 86.7 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 118.984 0.811 . . . . 0.0 112.337 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 2.6 t -69.77 -43.37 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.802 0.841 . . . . 0.0 112.53 -177.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 8.2 p -64.91 -37.64 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 119.272 0.942 . . . . 0.0 110.904 176.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -64.22 -27.97 69.42 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.022 0.929 . . . . 0.0 112.1 174.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.6 t60 -70.6 -66.92 0.54 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.906 0.882 . . . . 0.0 109.862 175.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 4.9 t -56.11 -34.59 66.18 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -174.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -66.77 -13.34 61.34 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 178.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -137.33 3.0 3.25 Favored Glycine 0 CA--C 1.538 1.495 0 N-CA-C 116.424 1.33 . . . . 0.0 116.424 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 49.5 t -57.47 129.36 41.47 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.226 1.513 . . . . 0.0 112.997 -178.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 23.1 tptm -70.68 -16.92 62.84 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.799 1.64 . . . . 0.0 112.411 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 39.6 ttm105 -107.33 -58.85 1.9 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.479 1.912 . . . . 0.0 111.858 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1812 ' ' LYS . . . . . 0.4 ' HG2' ' H ' ' A' 1813 ' ' THR . 32.9 tttt 53.52 -171.88 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 127.389 2.275 . . . . 0.0 113.2 -176.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1813 ' ' THR . . . . . 0.4 ' H ' ' HG2' ' A' 1812 ' ' LYS . 25.5 p -58.5 -31.08 67.55 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 120.399 -1.438 . . . . 0.0 112.568 177.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 38.9 t30 -58.22 -35.43 71.66 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.036 1.335 . . . . 0.0 112.229 175.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -101.51 4.75 54.38 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 126.094 1.807 . . . . 0.0 113.965 177.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 83.95 18.15 63.84 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 125.237 1.398 . . . . 0.0 116.376 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 10.4 t -57.67 115.2 10.15 Favored Pre-proline 0 CA--C 1.553 1.073 0 CA-C-N 119.459 1.63 . . . . 0.0 112.114 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -56.9 -44.69 42.32 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.211 2.607 . . . . 0.0 114.096 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 58.6 t -54.44 -60.09 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.423 1.489 . . . . 0.0 111.358 -178.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 35.2 m -52.49 -46.71 66.7 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.967 1.707 . . . . 0.0 110.972 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -47.83 81.61 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.642 1.177 . . . . 0.0 110.926 176.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -60.0 -41.95 93.22 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.472 1.033 . . . . 0.0 112.063 178.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.71 -49.68 69.9 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 118.53 0.605 . . . . 0.0 110.855 177.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 61.9 mt -62.47 -30.36 48.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 125.021 1.329 . . . . 0.0 112.087 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -57.1 -47.2 81.64 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.926 1.239 . . . . 0.0 111.104 175.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 9.1 mp -68.36 -36.25 78.94 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.738 0.815 . . . . 0.0 111.077 176.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 82.6 m -60.53 -40.32 91.07 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.606 0.639 . . . . 0.0 110.734 174.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 93.7 m -64.26 -49.33 72.29 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.102 0.961 . . . . 0.0 111.024 176.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 42.1 t80 -58.92 -40.95 86.1 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.234 0.613 . . . . 0.0 111.524 177.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 47.4 t60 -60.92 -58.62 7.68 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.173 0.989 . . . . 0.0 110.173 174.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -54.51 -30.22 52.82 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.57 1.548 . . . . 0.0 114.746 -178.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -57.68 -44.71 85.96 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.222 1.409 . . . . 0.0 111.033 177.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 46.3 m80 -90.07 -30.09 17.93 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.552 1.941 . . . . 0.0 113.975 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 14.3 t -65.44 156.5 32.18 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.159 1.384 . . . . 0.0 113.311 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -142.64 -3.8 1.0 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.823 2.049 . . . . 0.0 113.875 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -72.29 119.01 15.89 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.639 -1.288 . . . . 0.0 111.62 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.78 -17.11 63.9 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 -178.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -132.67 32.8 3.82 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.59 1.956 . . . . 0.0 113.269 -177.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 13.4 t -50.71 136.83 25.41 Favored Pre-proline 0 CA--C 1.557 1.232 0 C-N-CA 126.484 1.914 . . . . 0.0 112.302 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -64.63 -24.03 63.1 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 123.343 2.695 . . . . 0.0 114.788 -177.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 94.3 t -66.05 123.97 86.54 Favored Pre-proline 0 N--CA 1.475 0.799 0 C-N-CA 124.221 1.009 . . . . 0.0 109.047 177.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -63.13 -47.91 7.32 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 123.011 2.474 . . . . 0.0 114.68 -174.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -73.08 -29.33 62.87 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 114.052 1.131 . . . . 0.0 114.052 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 41.4 t -42.37 -66.16 0.39 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.261 1.825 . . . . 0.0 112.641 -177.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 57.6 mt -53.52 -38.63 63.93 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.911 1.285 . . . . 0.0 113.912 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 51.9 t30 -63.61 -50.21 70.29 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.857 0.753 . . . . 0.0 109.626 175.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 13.1 mm -57.18 -47.89 83.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-O 118.926 -0.559 . . . . 0.0 110.573 177.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -53.04 -44.17 67.19 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.582 1.083 . . . . 0.0 111.647 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 33.2 t60 -62.67 -48.86 77.49 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.188 0.595 . . . . 0.0 111.187 175.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -56.92 -31.29 64.77 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.937 1.695 . . . . 0.0 112.297 176.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 5.0 mp -78.1 -44.97 24.68 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.198 1.799 . . . . 0.0 112.117 176.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 179.01 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 CA--C 1.544 0.716 0 CA-C-O 120.816 0.341 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -149.63 149.46 28.46 Favored Pre-proline 0 CA--C 1.544 0.736 0 C-N-CA 125.709 1.604 . . . . 0.0 109.849 175.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -72.25 -8.69 23.2 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 122.383 2.055 . . . . 0.0 114.866 -176.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -93.06 -17.85 23.34 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -178.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -62.4 -30.34 71.14 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.832 1.197 . . . . 0.0 113.439 -173.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -70.26 -27.11 64.18 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.518 1.527 . . . . 0.0 112.008 175.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.71 -33.14 17.63 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.646 1.578 . . . . 0.0 112.391 177.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 98.0 t -76.53 -51.16 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.713 1.205 . . . . 0.0 111.119 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 44.1 m -56.55 -34.9 67.52 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 -176.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -67.3 -22.41 65.63 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 121.605 -0.684 . . . . 0.0 112.84 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 13.2 mt -90.14 -51.74 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 126.208 1.803 . . . . 0.0 109.35 176.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -152.09 101.6 2.82 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 127.695 2.398 . . . . 0.0 112.777 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -80.92 179.69 5.79 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 123.492 2.794 . . . . 0.0 112.053 177.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -77.21 -20.66 55.01 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.833 -1.167 . . . . 0.0 113.81 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 25.2 p -73.41 -47.28 43.06 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.726 1.61 . . . . 0.0 113.848 -178.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.8 m -141.52 155.41 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.916 1.687 . . . . 0.0 112.329 -178.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 47.2 ttm -82.43 65.65 7.65 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.671 0.788 . . . . 0.0 110.038 175.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 57.5 tp -50.69 -23.66 2.81 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 126.662 1.985 . . . . 0.0 113.6 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.09 -24.18 24.3 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.043 1.337 . . . . 0.0 113.284 174.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.6 p -72.7 -16.73 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 O-C-N 121.207 -0.933 . . . . 0.0 112.349 176.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -111.33 -38.22 5.05 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.669 1.988 . . . . 0.0 112.741 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -65.3 153.12 42.04 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.32 1.848 . . . . 0.0 113.974 -177.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -137.92 86.67 0.22 Allowed Glycine 0 CA--C 1.531 1.079 0 C-N-CA 127.149 2.309 . . . . 0.0 109.874 178.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 83.7 mt -58.14 130.94 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 125.803 1.641 . . . . 0.0 111.782 -176.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -72.41 45.71 0.14 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.643 2.377 . . . . 0.0 113.863 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 63.3 tp . . . . . 0 N--CA 1.48 1.061 0 O-C-N 120.653 -1.279 . . . . 0.0 110.652 172.744 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 44.2 ttm105 . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 112.295 0.479 . . . . 0.0 112.295 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.6 mp -67.22 -42.31 84.28 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.496 1.118 . . . . 0.0 110.68 175.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 48.9 m -63.46 -42.8 98.63 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.477 -0.765 . . . . 0.0 111.469 177.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 41.7 mt -55.83 -61.92 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 125.804 1.642 . . . . 0.0 110.138 176.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -59.78 -33.99 72.42 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -65.78 -54.88 21.18 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.035 0.934 . . . . 0.0 110.847 175.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 38.4 t -56.92 -36.02 69.71 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.639 0.654 . . . . 0.0 111.553 176.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 34.5 mt -58.88 -30.72 43.53 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 O-C-N 121.157 -0.965 . . . . 0.0 112.428 175.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -63.46 -47.23 82.7 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 120.431 1.468 . . . . 0.0 110.122 175.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 19.1 m -62.4 -37.61 86.45 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.964 1.306 . . . . 0.0 111.79 176.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.33 -52.77 63.85 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.952 1.301 . . . . 0.0 110.421 175.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 91.6 t -55.14 -50.08 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-O 118.562 -0.733 . . . . 0.0 110.087 177.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 31.3 t60 -52.76 -57.99 8.33 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.466 0.706 . . . . 0.0 110.843 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -55.06 -31.44 61.14 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 95.4 m -76.38 -13.93 60.1 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 178.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -119.56 -12.62 9.28 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.192 1.397 . . . . 0.0 114.092 178.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 8.8 t -63.55 120.55 11.94 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.878 1.671 . . . . 0.0 112.145 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -72.98 -6.9 48.45 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.145 1.778 . . . . 0.0 114.177 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 43.3 t30 -127.28 112.87 15.57 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.949 1.3 . . . . 0.0 112.744 -177.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -63.17 -11.15 18.53 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 176.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 14.4 m120 -118.13 28.51 8.33 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 127.259 2.224 . . . . 0.0 112.671 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 52.7 t -50.63 152.79 1.86 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.468 2.307 . . . . 0.0 112.637 178.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 17.7 m -80.51 -14.61 58.11 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 -177.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 18.0 tp -69.99 133.02 88.15 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-N 120.761 1.619 . . . . 0.0 109.558 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -63.56 -37.38 48.02 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 121.757 1.638 . . . . 0.0 113.243 -175.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 49.5 m -72.28 -38.43 68.8 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 38.1 t -57.79 -51.13 70.85 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.857 1.263 . . . . 0.0 109.918 177.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -47.67 -51.79 20.46 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.383 1.473 . . . . 0.0 112.471 176.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -72.84 -41.55 64.71 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.669 -0.644 . . . . 0.0 112.581 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 61.3 tpp -58.96 -40.63 85.34 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.57 1.148 . . . . 0.0 112.186 178.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -51.94 -39.71 59.63 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.097 0.959 . . . . 0.0 112.671 177.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -58.91 -55.95 28.52 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 119.18 0.9 . . . . 0.0 111.935 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 23.2 m -64.41 -35.45 74.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 118.853 0.752 . . . . 0.0 112.324 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 41.9 t -60.86 -49.35 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.708 0.803 . . . . 0.0 110.176 175.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -64.71 -26.73 68.5 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.872 0.869 . . . . 0.0 112.561 176.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 5.2 t60 -68.85 -66.88 0.52 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.023 0.929 . . . . 0.0 109.799 176.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 5.5 t -56.2 -34.76 66.56 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -174.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -68.95 -9.88 54.37 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -144.3 16.01 2.09 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 125.166 1.365 . . . . 0.0 115.874 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 43.1 t -57.34 145.72 31.39 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 118.851 1.326 . . . . 0.0 113.1 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -70.28 -18.87 63.13 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.235 1.414 . . . . 0.0 113.144 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -140.61 -26.62 0.74 Allowed 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 177.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1812 ' ' LYS . . . . . 0.456 ' HG2' ' H ' ' A' 1813 ' ' THR . 42.2 tttt 50.58 -163.06 0.05 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.501 1.92 . . . . 0.0 113.299 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1813 ' ' THR . . . . . 0.456 ' H ' ' HG2' ' A' 1812 ' ' LYS . 19.9 p -59.86 -26.62 66.0 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 120.382 -1.449 . . . . 0.0 112.745 176.265 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 32.8 t30 -59.53 -43.87 93.35 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.852 1.261 . . . . 0.0 111.423 175.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -89.35 -7.16 69.99 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 124.989 1.281 . . . . 0.0 113.843 176.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 95.75 20.37 26.71 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.673 1.606 . . . . 0.0 116.162 177.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 10.0 t -54.97 113.42 5.38 Favored Pre-proline 0 CA--C 1.555 1.163 0 CA-C-N 119.152 1.476 . . . . 0.0 112.539 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -58.73 -36.26 97.39 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 123.184 2.589 . . . . 0.0 113.873 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 48.9 t -59.66 -62.16 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.17 1.388 . . . . 0.0 110.012 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 49.6 m -52.88 -48.85 66.84 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.149 1.779 . . . . 0.0 111.72 178.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -51.99 64.39 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.497 1.119 . . . . 0.0 111.053 178.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -65.02 -31.88 73.32 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.55 -50.15 64.09 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.341 0.973 . . . . 0.0 109.401 173.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 69.4 mt -62.42 -30.5 49.2 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 125.663 1.585 . . . . 0.0 111.706 178.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -56.85 -49.62 74.9 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 119.721 1.146 . . . . 0.0 110.886 175.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 7.2 mp -67.54 -38.95 84.92 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.144 0.977 . . . . 0.0 110.972 176.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 83.8 m -58.92 -41.86 88.29 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.848 0.749 . . . . 0.0 110.991 174.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 44.7 t -65.76 -48.98 70.01 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.014 1.325 . . . . 0.0 111.257 177.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 3.6 t80 -58.98 -37.69 77.41 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.271 0.628 . . . . 0.0 111.124 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 30.9 t60 -63.81 -58.48 6.7 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.893 1.277 . . . . 0.0 109.946 173.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -52.42 -32.56 39.75 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.051 1.74 . . . . 0.0 114.631 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -54.96 -45.97 74.97 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.942 1.697 . . . . 0.0 111.135 177.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 48.2 m80 -90.17 -27.85 19.29 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 127.007 2.123 . . . . 0.0 114.462 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 8.7 t -63.02 154.28 31.18 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.04 1.336 . . . . 0.0 113.803 -177.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -137.87 -4.87 1.74 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.765 2.026 . . . . 0.0 114.184 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -73.37 118.87 16.84 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.535 -1.353 . . . . 0.0 111.894 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -16.38 60.07 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -178.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -136.73 38.66 2.62 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 126.781 2.032 . . . . 0.0 112.681 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 14.0 t -52.08 136.92 38.08 Favored Pre-proline 0 CA--C 1.558 1.288 0 C-N-CA 125.866 1.666 . . . . 0.0 112.408 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -65.14 -24.08 59.57 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 123.477 2.785 . . . . 0.0 115.174 -177.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 70.3 t -64.39 116.02 24.74 Favored Pre-proline 0 N--CA 1.477 0.915 0 C-N-CA 124.733 1.213 . . . . 0.0 109.504 178.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -47.98 -51.61 9.64 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 124.298 3.332 . . . . 0.0 116.252 -176.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -78.4 -22.44 47.8 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 -176.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 42.7 t -44.1 -66.22 0.41 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.935 1.694 . . . . 0.0 112.803 -176.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 6.3 mp -49.44 -46.04 47.24 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.456 1.902 . . . . 0.0 113.543 177.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 15.0 m120 -61.83 -44.98 95.75 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.449 0.7 . . . . 0.0 110.852 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 9.5 mm -59.86 -46.26 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-O 118.716 -0.659 . . . . 0.0 110.3 175.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 57.2 mttt -52.4 -46.35 66.26 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 119.791 1.178 . . . . 0.0 111.325 177.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 55.2 t60 -58.33 -46.59 85.91 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.851 0.86 . . . . 0.0 111.545 177.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -59.37 -45.53 91.19 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.712 1.205 . . . . 0.0 111.271 175.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 6.1 mp -59.17 -32.54 70.0 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.266 1.426 . . . . 0.0 112.988 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 . . . . . 0 N--CA 1.479 1.02 0 CA-C-N 119.728 1.149 . . . . 0.0 113.474 175.965 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 CA--C 1.541 0.614 0 CA-C-O 121.392 0.615 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -159.44 121.7 1.9 Allowed Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 127.305 2.242 . . . . 0.0 107.784 177.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -63.05 -18.32 64.59 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 122.535 2.157 . . . . 0.0 114.346 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -86.33 -12.16 50.15 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.273 1.429 . . . . 0.0 113.422 178.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -27.47 67.56 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -175.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -64.89 -41.15 95.87 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.977 0.911 . . . . 0.0 110.878 177.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.27 -38.59 75.11 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.34 1.056 . . . . 0.0 111.578 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 92.7 t -64.66 -44.38 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.806 0.842 . . . . 0.0 110.269 176.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 72.8 m -53.25 -43.9 67.72 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.646 1.578 . . . . 0.0 115.174 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -67.24 -19.14 65.48 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 119.324 0.965 . . . . 0.0 113.484 178.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 17.7 mt -90.13 -50.81 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 C-N-CA 126.223 1.809 . . . . 0.0 109.241 177.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -156.67 102.57 1.98 Allowed Pre-proline 0 CA--C 1.559 1.295 0 C-N-CA 128.309 2.644 . . . . 0.0 111.529 176.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -82.18 -18.5 7.33 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 124.132 3.221 . . . . 0.0 115.684 -176.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -142.37 -178.98 6.01 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.144 1.778 . . . . 0.0 110.095 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 16.4 m -58.36 -13.03 4.4 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.193 1.397 . . . . 0.0 114.637 178.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.4 m -63.22 145.14 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 126.216 1.806 . . . . 0.0 111.836 177.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 21.5 mmt -81.78 55.22 2.65 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.028 0.931 . . . . 0.0 111.529 178.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 44.6 tp -54.31 -29.54 47.97 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 120.92 -1.112 . . . . 0.0 112.837 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.06 -22.09 36.53 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.638 0.775 . . . . 0.0 112.994 174.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.24 -19.68 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 O-C-N 120.692 -1.255 . . . . 0.0 112.836 176.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -122.38 -25.74 4.75 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.913 1.685 . . . . 0.0 113.839 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -74.45 167.61 21.36 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.37 1.468 . . . . 0.0 111.205 176.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -148.36 92.0 0.15 Allowed Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.208 0.909 . . . . 0.0 114.422 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 64.9 mt -54.97 125.77 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 124.658 1.183 . . . . 0.0 109.272 175.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -75.9 57.91 1.1 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.355 1.462 . . . . 0.0 113.352 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 61.1 tp . . . . . 0 N--CA 1.474 0.774 0 C-N-CA 125.936 1.695 . . . . 0.0 113.047 178.23 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 6.1 mp -68.41 -30.5 69.42 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 41.0 m -58.42 -46.76 85.83 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.494 1.043 . . . . 0.0 111.723 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 54.6 mt -58.54 -63.0 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 125.345 1.458 . . . . 0.0 110.743 178.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -59.45 -34.72 72.87 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -178.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -63.49 -53.33 53.72 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.799 0.84 . . . . 0.0 110.406 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 32.2 t -57.71 -33.55 68.52 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 118.827 0.74 . . . . 0.0 111.768 176.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 53.5 mt -65.68 -27.52 41.66 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 O-C-N 121.106 -0.996 . . . . 0.0 112.246 176.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -63.63 -46.32 86.22 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 120.569 1.532 . . . . 0.0 109.395 173.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 9.0 m -59.55 -39.08 82.82 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.756 1.623 . . . . 0.0 111.515 175.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 61.1 tp -59.79 -53.96 51.8 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.12 1.368 . . . . 0.0 110.023 175.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 98.4 t -55.61 -50.51 66.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.534 177.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 30.0 t60 -51.46 -60.41 3.17 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.608 0.763 . . . . 0.0 111.121 177.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.65 -27.48 62.87 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -178.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 89.1 m -78.12 -14.54 59.44 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 176.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -118.41 -13.92 9.76 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.156 1.382 . . . . 0.0 114.263 178.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 13.4 t -59.91 116.96 4.49 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.543 1.937 . . . . 0.0 111.918 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -71.75 -6.94 45.02 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.72 2.008 . . . . 0.0 116.18 -176.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 32.9 t30 -137.09 110.21 7.77 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.617 1.167 . . . . 0.0 112.18 -177.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -56.92 -17.4 9.43 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 178.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -87.98 -0.03 56.5 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 125.771 1.628 . . . . 0.0 114.013 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 44.0 t -46.23 111.2 0.34 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.99 2.116 . . . . 0.0 111.454 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 78.6 p -74.36 2.01 10.34 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 -175.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 14.4 tp -61.26 127.34 87.99 Favored Pre-proline 0 CA--C 1.545 0.77 0 C-N-CA 124.655 1.182 . . . . 0.0 109.4 177.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -56.01 -37.23 96.46 Favored 'Trans proline' 0 CA--C 1.536 0.591 0 C-N-CA 122.934 2.423 . . . . 0.0 113.746 -176.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 75.6 m -64.54 -48.98 73.07 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.365 1.066 . . . . 0.0 111.978 176.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 8.6 t -61.55 -51.99 66.31 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.734 1.614 . . . . 0.0 109.839 177.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -46.95 -58.37 4.02 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.229 1.812 . . . . 0.0 111.604 175.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -57.26 -52.08 66.78 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.908 0.883 . . . . 0.0 112.035 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 40.1 tpp -56.69 -38.74 72.69 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.823 0.849 . . . . 0.0 113.051 178.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -55.39 -34.0 63.96 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 117.897 -1.049 . . . . 0.0 113.076 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -59.75 -57.74 11.58 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 120.269 1.395 . . . . 0.0 111.312 176.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 28.9 m -64.13 -36.17 76.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 43.3 t -62.07 -50.62 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.186 0.994 . . . . 0.0 110.432 175.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -61.59 -30.11 70.47 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.8 1.24 . . . . 0.0 112.436 176.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.8 t60 -72.16 -64.31 0.97 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.412 1.085 . . . . 0.0 110.91 176.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 11.7 t -54.02 -34.96 61.33 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 114.53 1.308 . . . . 0.0 114.53 -176.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -69.25 -11.33 60.71 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -139.62 0.92 2.27 Favored Glycine 0 CA--C 1.538 1.509 0 N-CA-C 117.001 1.561 . . . . 0.0 117.001 -177.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 52.9 t -57.34 141.83 45.67 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.341 1.57 . . . . 0.0 113.156 -178.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -74.58 -9.69 58.82 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.09 1.756 . . . . 0.0 112.908 177.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 20.5 mtm180 -120.08 -59.58 1.78 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.248 1.819 . . . . 0.0 113.644 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 52.8 mtpt 56.72 -164.89 0.15 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.555 1.142 . . . . 0.0 110.781 -169.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 17.4 p -56.05 -46.1 79.03 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.726 -1.234 . . . . 0.0 112.642 178.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 11.4 p30 -62.08 -28.47 69.63 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -91.55 -7.71 64.72 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 125.196 1.379 . . . . 0.0 113.887 177.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 87.08 17.94 58.51 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.545 1.545 . . . . 0.0 115.881 177.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 24.5 t -61.93 117.44 29.09 Favored Pre-proline 0 CA--C 1.553 1.061 0 CA-C-N 118.829 1.315 . . . . 0.0 112.382 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -57.13 -39.79 88.09 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.3 2.666 . . . . 0.0 113.692 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 60.7 t -58.8 -63.09 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.282 1.033 . . . . 0.0 109.97 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 41.2 m -53.34 -52.89 57.72 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.773 1.629 . . . . 0.0 111.927 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.3 -50.16 65.49 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.98 0.912 . . . . 0.0 111.438 178.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -66.2 -30.32 70.76 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 178.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.95 -49.66 69.47 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 118.778 0.717 . . . . 0.0 109.078 172.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 31.2 mm -60.96 -31.99 51.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.654 1.182 . . . . 0.0 111.779 177.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -56.53 -45.64 81.02 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 120.362 1.437 . . . . 0.0 111.577 175.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 7.2 mp -69.47 -37.74 77.43 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.892 0.877 . . . . 0.0 110.962 175.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 84.6 m -60.3 -38.05 82.45 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 118.852 0.751 . . . . 0.0 110.697 173.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 95.9 m -67.07 -48.52 68.01 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.395 1.078 . . . . 0.0 111.27 176.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 29.1 t80 -58.06 -40.31 80.68 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.375 0.534 . . . . 0.0 110.839 176.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 46.6 t60 -61.67 -59.69 4.8 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.122 0.969 . . . . 0.0 110.053 174.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -53.18 -31.53 43.28 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.087 1.755 . . . . 0.0 114.672 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -57.25 -47.35 81.59 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.802 1.641 . . . . 0.0 111.103 177.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 44.5 m80 -90.15 -27.91 19.28 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.488 1.915 . . . . 0.0 114.611 -178.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 17.9 t -63.82 149.83 46.08 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.881 1.272 . . . . 0.0 113.86 -177.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -138.86 1.07 2.04 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 127.363 2.265 . . . . 0.0 113.236 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.29 106.03 4.94 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.288 1.435 . . . . 0.0 110.063 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.24 -25.05 12.8 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.332 1.453 . . . . 0.0 114.594 -177.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 97.4 mttt -130.0 33.52 4.38 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.553 1.941 . . . . 0.0 112.727 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 12.1 t -43.57 134.44 3.6 Favored Pre-proline 0 CA--C 1.556 1.175 0 C-N-CA 126.999 2.119 . . . . 0.0 113.407 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -64.34 -23.8 65.24 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 123.227 2.618 . . . . 0.0 114.735 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 96.9 t -66.4 123.3 85.15 Favored Pre-proline 0 N--CA 1.476 0.837 0 C-N-CA 124.18 0.992 . . . . 0.0 108.991 177.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -64.09 -44.85 11.4 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.919 2.413 . . . . 0.0 114.666 -174.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -75.46 -30.34 59.93 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.093 1.145 . . . . 0.0 114.093 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 41.0 t -41.36 -67.5 0.25 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.567 1.947 . . . . 0.0 113.046 -177.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 51.0 mt -55.36 -36.7 66.6 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.475 1.11 . . . . 0.0 113.751 -179.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -64.02 -48.89 74.56 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.64 0.655 . . . . 0.0 109.715 175.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 14.0 mm -58.64 -47.75 87.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 119.005 -0.521 . . . . 0.0 110.6 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -52.14 -45.66 65.07 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 119.419 1.008 . . . . 0.0 111.649 177.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 54.4 t60 -62.36 -50.65 70.74 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.903 0.881 . . . . 0.0 111.17 176.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -54.77 -40.11 69.06 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.424 1.49 . . . . 0.0 111.925 176.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 3.0 mp -60.23 -41.37 92.98 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.611 1.565 . . . . 0.0 112.618 177.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? . . . . . 0 N--CA 1.479 1.011 0 CA-C-N 118.883 0.765 . . . . 0.0 112.226 176.935 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 CA--C 1.542 0.645 0 CA-C-O 121.04 0.448 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -153.36 136.86 10.18 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 124.649 1.18 . . . . 0.0 110.687 -178.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -68.31 -14.7 40.94 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 122.416 2.078 . . . . 0.0 115.132 -177.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -95.56 -12.98 24.83 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.656 1.182 . . . . 0.0 113.865 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -57.94 -37.15 73.6 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.438 1.017 . . . . 0.0 113.651 -174.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -58.76 -40.27 83.4 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.17 1.788 . . . . 0.0 112.034 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.38 -20.69 60.69 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 177.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 12.5 t -82.5 -48.86 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.316 1.046 . . . . 0.0 110.657 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 71.2 m -51.32 -36.69 43.83 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 -177.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -67.79 -24.39 65.31 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 8.2 mt -90.11 -54.31 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 126.629 1.971 . . . . 0.0 109.725 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -152.43 100.89 2.77 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 126.953 2.101 . . . . 0.0 111.57 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.11 172.87 15.52 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 122.537 2.158 . . . . 0.0 111.392 177.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -69.46 -21.46 63.72 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.774 -1.204 . . . . 0.0 114.12 -178.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 19.9 m -78.45 -43.91 25.99 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.388 1.475 . . . . 0.0 114.684 -177.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 32.9 m -143.58 157.03 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 124.999 1.32 . . . . 0.0 112.713 -177.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 34.3 mtp -82.72 65.5 7.88 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.875 0.87 . . . . 0.0 111.24 175.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 37.3 tp -52.0 -25.82 9.3 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.189 1.796 . . . . 0.0 113.696 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.83 -13.64 6.76 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.235 1.414 . . . . 0.0 114.339 175.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.9 p -73.57 -17.31 17.49 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 124.097 0.959 . . . . 0.0 111.73 173.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -130.69 -30.84 1.82 Allowed 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 -177.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.69 167.56 21.56 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 120.661 1.573 . . . . 0.0 112.871 178.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.4 108.07 0.98 Allowed Glycine 0 CA--C 1.533 1.203 0 C-N-CA 125.438 1.494 . . . . 0.0 113.821 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 20.1 mt -60.14 128.3 20.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.824 1.25 . . . . 0.0 110.681 177.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -72.51 42.68 0.1 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 127.834 2.454 . . . . 0.0 114.427 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 43.2 tp . . . . . 0 N--CA 1.477 0.914 0 C-N-CA 126.133 1.773 . . . . 0.0 113.745 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 3.3 mp -72.97 -52.46 14.44 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.298 -0.876 . . . . 0.0 109.954 175.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 73.7 m -53.93 -50.33 66.66 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.237 -0.914 . . . . 0.0 112.545 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 17.4 tt -60.57 -48.64 87.71 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 123.513 0.725 . . . . 0.0 112.254 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -65.88 -34.87 79.14 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.599 1.09 . . . . 0.0 113.194 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -60.01 -52.69 64.31 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.658 1.183 . . . . 0.0 110.161 176.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 27.1 t -59.55 -35.59 74.53 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 122.593 0.357 . . . . 0.0 111.819 175.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 40.9 mt -63.54 -29.43 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 121.184 -0.948 . . . . 0.0 111.9 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -62.4 -45.15 94.42 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 120.359 1.436 . . . . 0.0 109.869 174.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 9.8 m -61.88 -41.26 97.66 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.0 1.32 . . . . 0.0 111.235 176.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 69.4 tp -57.27 -53.03 62.76 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.045 1.338 . . . . 0.0 110.747 175.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 95.3 t -57.02 -52.22 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.459 0.703 . . . . 0.0 110.413 177.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 41.3 t60 -52.92 -56.66 14.28 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.852 0.861 . . . . 0.0 111.459 178.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -56.82 -30.06 63.38 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 85.3 m -75.33 -13.4 60.41 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 176.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -118.46 -18.84 9.05 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.047 1.339 . . . . 0.0 114.282 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 10.9 t -63.78 116.92 6.21 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.828 1.651 . . . . 0.0 111.87 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -72.06 -18.76 61.91 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.565 1.946 . . . . 0.0 115.405 -176.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 29.2 t30 -127.38 112.46 15.04 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.761 1.224 . . . . 0.0 112.988 -175.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -58.67 -15.93 14.01 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 177.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -90.68 7.28 40.23 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 126.144 1.778 . . . . 0.0 113.508 178.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 41.8 t -45.77 133.1 8.49 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.369 2.268 . . . . 0.0 111.859 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 79.6 p -68.7 -5.5 20.71 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 116.507 2.04 . . . . 0.0 116.507 -175.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 29.4 tp -76.75 118.7 73.51 Favored Pre-proline 0 CA--C 1.551 1.008 0 CA-C-N 120.214 1.37 . . . . 0.0 111.12 179.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -49.96 -40.98 49.24 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.475 2.783 . . . . 0.0 115.066 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 88.3 p -73.59 -33.49 64.64 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 49.5 t -61.37 -51.82 67.18 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.214 1.405 . . . . 0.0 109.427 175.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -48.49 -51.12 28.75 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.68 1.592 . . . . 0.0 111.874 176.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 94.1 mttt -62.0 -53.81 50.34 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.587 1.155 . . . . 0.0 111.233 177.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 52.3 tpp -60.31 -28.57 68.23 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.931 1.293 . . . . 0.0 114.391 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -56.34 -44.16 79.77 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 120.545 -1.347 . . . . 0.0 111.281 175.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -62.04 -39.89 93.89 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.977 0.911 . . . . 0.0 111.554 176.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 58.1 t -60.78 -58.3 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 126.16 1.784 . . . . 0.0 111.426 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 7.7 p -61.56 -36.93 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 118.914 0.779 . . . . 0.0 112.069 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -65.89 -23.41 66.64 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.505 1.122 . . . . 0.0 113.302 175.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 19.2 t60 -70.87 -66.3 0.63 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.423 1.011 . . . . 0.0 110.461 177.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 10.9 t -52.92 -37.85 61.26 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 -176.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -68.61 -11.34 59.92 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -136.37 7.71 4.01 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.515 1.531 . . . . 0.0 115.812 -178.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 49.7 t -59.03 142.57 50.92 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.991 1.395 . . . . 0.0 112.516 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -71.35 -16.99 62.45 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.605 1.562 . . . . 0.0 113.608 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.47 -23.8 0.59 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 12.0 tttp 53.26 -165.39 0.08 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.161 1.784 . . . . 0.0 113.488 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 17.9 p -59.22 -28.8 67.0 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.998 1.319 . . . . 0.0 112.295 174.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 33.4 t30 -57.97 -46.35 85.28 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.335 1.454 . . . . 0.0 111.727 176.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -86.74 -8.97 75.65 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.544 1.069 . . . . 0.0 113.887 176.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 98.62 21.19 17.25 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.431 1.491 . . . . 0.0 116.315 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 12.8 t -55.3 115.06 8.28 Favored Pre-proline 0 CA--C 1.556 1.177 0 CA-C-N 119.357 1.578 . . . . 0.0 111.869 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -54.88 -48.85 19.0 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.694 2.929 . . . . 0.0 114.241 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -60.2 -49.26 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.656 1.182 . . . . 0.0 111.507 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 85.4 m -55.57 -48.62 74.48 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.297 0.953 . . . . 0.0 110.084 175.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1821 ' ' LYS . . . . . 0.414 ' O ' ' HE2' ' A' 1821 ' ' LYS . 0.1 OUTLIER -56.21 -47.36 78.55 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.36 -0.837 . . . . 0.0 111.064 177.046 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -60.02 -43.33 95.32 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.574 -0.703 . . . . 0.0 111.973 177.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 25.6 tp -64.56 -47.78 77.46 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.144 -0.973 . . . . 0.0 111.439 177.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 34.4 mm -61.4 -32.37 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 123.9 0.88 . . . . 0.0 111.21 176.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -57.9 -46.68 84.56 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.822 1.192 . . . . 0.0 111.175 174.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 8.0 mp -67.26 -40.69 86.25 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.954 0.901 . . . . 0.0 111.29 176.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 77.7 m -58.8 -42.58 89.41 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 118.597 0.635 . . . . 0.0 110.497 175.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 45.2 t -65.01 -50.98 64.15 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.116 1.366 . . . . 0.0 111.2 176.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 11.7 t80 -57.29 -38.4 73.9 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.715 0.806 . . . . 0.0 111.551 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 54.7 t60 -64.44 -59.67 4.06 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.179 0.992 . . . . 0.0 109.888 173.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -52.83 -32.75 46.01 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.873 1.669 . . . . 0.0 114.838 -178.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -56.37 -45.53 80.45 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.779 1.632 . . . . 0.0 111.244 177.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 43.4 m80 -90.01 -27.76 19.54 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.239 1.816 . . . . 0.0 113.743 -179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 11.5 t -67.29 164.96 17.26 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.094 1.358 . . . . 0.0 113.15 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -154.77 -3.42 0.16 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.637 1.975 . . . . 0.0 114.674 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -69.34 116.19 9.48 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 120.807 -1.183 . . . . 0.0 110.848 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -16.83 57.85 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -177.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -129.86 29.42 4.99 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.626 1.97 . . . . 0.0 113.459 -178.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 8.9 t -49.01 134.49 14.82 Favored Pre-proline 0 CA--C 1.556 1.187 0 C-N-CA 126.293 1.837 . . . . 0.0 111.57 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -64.37 -23.2 65.56 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 123.354 2.703 . . . . 0.0 115.097 -176.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 89.1 t -69.4 118.42 62.09 Favored Pre-proline 0 N--CA 1.474 0.756 0 C-N-CA 124.361 1.064 . . . . 0.0 108.528 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -64.52 -38.11 34.62 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.511 2.141 . . . . 0.0 113.801 -176.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -74.43 -29.23 61.4 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 118.286 -0.864 . . . . 0.0 113.302 179.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 37.6 t -49.76 -66.32 0.41 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.19 1.396 . . . . 0.0 111.187 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 69.4 mt -51.64 -41.3 61.21 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.728 1.611 . . . . 0.0 113.5 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -61.5 -50.56 72.22 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.601 0.761 . . . . 0.0 110.114 176.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 7.9 mm -59.73 -46.98 92.91 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 CA-C-O 118.663 -0.684 . . . . 0.0 110.595 175.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -52.78 -46.56 67.64 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 119.825 1.193 . . . . 0.0 111.135 177.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 56.1 t60 -58.92 -49.13 78.98 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.175 0.99 . . . . 0.0 111.358 176.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 14.4 mptt -56.83 -44.39 82.03 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.753 1.221 . . . . 0.0 111.563 175.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 5.0 mp -57.51 -34.4 69.06 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.136 1.374 . . . . 0.0 112.721 177.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 59.1 mmt-85 . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 113.807 1.039 . . . . 0.0 113.807 176.701 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 CA--C 1.542 0.669 0 CA-C-O 120.94 0.4 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -155.41 151.76 23.19 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 125.99 1.716 . . . . 0.0 110.424 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -74.13 -9.03 21.7 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.402 2.068 . . . . 0.0 114.587 -177.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -87.57 -30.2 20.71 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.363 -0.836 . . . . 0.0 113.22 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -60.26 -27.49 67.29 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.328 1.051 . . . . 0.0 112.416 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -59.57 -38.68 81.79 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.105 1.762 . . . . 0.0 111.207 175.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.64 -43.9 21.95 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.344 1.058 . . . . 0.0 110.738 175.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 46.3 t -58.32 -36.75 59.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 O-C-N 121.486 -0.759 . . . . 0.0 111.353 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 66.7 m -59.42 -24.54 63.57 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 115.773 1.768 . . . . 0.0 115.773 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -90.03 -22.37 21.9 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.95 1.25 . . . . 0.0 112.515 175.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 10.7 mt -90.32 -54.03 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 126.073 1.749 . . . . 0.0 112.383 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -143.83 75.43 16.05 Favored Pre-proline 0 CA--C 1.556 1.19 0 C-N-CA 127.221 2.208 . . . . 0.0 111.312 -178.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -65.15 171.17 9.4 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 122.17 1.913 . . . . 0.0 113.107 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -63.66 -19.9 65.27 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 120.982 -1.074 . . . . 0.0 113.796 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 22.1 p -78.66 -52.76 7.96 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.19 1.796 . . . . 0.0 113.378 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 35.4 m -144.38 160.28 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 125.631 1.572 . . . . 0.0 113.874 -176.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 83.7 mtp -87.5 66.53 9.06 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.056 0.942 . . . . 0.0 108.877 172.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 12.0 tp -48.31 -27.67 2.66 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.219 1.808 . . . . 0.0 115.63 -173.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.3 -21.14 13.47 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 176.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 6.3 p -68.2 -17.56 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 O-C-N 121.015 -1.053 . . . . 0.0 112.272 175.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -133.15 -1.24 3.26 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.399 1.88 . . . . 0.0 115.206 -178.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -134.74 146.41 49.39 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.68 1.592 . . . . 0.0 111.982 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -99.85 145.49 17.43 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.949 1.261 . . . . 0.0 113.645 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 38.7 mt -80.55 152.45 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.415 1.486 . . . . 0.0 111.847 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 47.1 p-10 -69.11 27.18 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 128.552 2.741 . . . . 0.0 116.015 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 27.5 tp . . . . . 0 N--CA 1.475 0.8 0 C-N-CA 126.694 1.998 . . . . 0.0 113.151 178.59 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 6.2 mp -73.46 -52.74 12.6 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.191 0.996 . . . . 0.0 109.695 174.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 37.8 m -52.17 -51.12 59.95 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.711 0.804 . . . . 0.0 112.692 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 16.7 tt -61.14 -50.43 80.54 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 124.098 0.959 . . . . 0.0 112.393 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -64.3 -39.28 93.61 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.608 1.094 . . . . 0.0 112.639 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 15.3 mmp_? -60.09 -54.06 50.36 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.415 1.086 . . . . 0.0 110.026 176.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 33.6 t -55.53 -38.83 69.77 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.134 0.574 . . . . 0.0 111.774 176.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 40.7 mt -64.83 -28.81 45.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 O-C-N 121.161 -0.962 . . . . 0.0 112.662 176.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -63.39 -46.37 86.75 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 120.651 1.568 . . . . 0.0 109.853 173.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 51.1 m -60.21 -38.76 84.32 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.983 1.313 . . . . 0.0 111.78 176.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 64.1 tp -60.5 -50.87 71.82 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.892 1.277 . . . . 0.0 110.556 176.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 95.2 t -56.37 -48.14 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.589 177.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 27.2 t60 -52.05 -58.21 7.22 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.01 0.823 . . . . 0.0 110.884 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.33 -28.46 63.12 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 97.1 m -78.12 -14.19 59.57 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 177.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -120.01 -14.1 8.93 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 9.2 t -59.28 121.64 11.89 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.693 1.597 . . . . 0.0 111.992 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -76.2 -13.8 60.17 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.777 2.031 . . . . 0.0 115.388 -175.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 30.3 t30 -131.55 111.6 11.89 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.819 1.247 . . . . 0.0 112.712 -176.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -57.63 -17.23 13.47 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 177.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -89.25 4.47 48.61 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.041 1.737 . . . . 0.0 113.8 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 49.5 t -46.35 123.85 5.19 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.961 2.104 . . . . 0.0 111.864 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 78.8 p -77.57 -1.53 31.16 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -176.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 16.2 tp -65.59 131.21 94.76 Favored Pre-proline 0 CA--C 1.548 0.894 0 CA-C-N 119.994 1.27 . . . . 0.0 110.505 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -54.92 -43.11 62.52 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 122.607 2.205 . . . . 0.0 113.095 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 68.6 m -62.47 -49.34 75.81 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.315 1.446 . . . . 0.0 112.748 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 12.9 t -56.5 -51.54 68.12 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.054 1.342 . . . . 0.0 110.118 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -55.11 -47.72 74.6 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.668 1.187 . . . . 0.0 112.742 177.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -57.38 -52.38 65.61 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 118.957 0.799 . . . . 0.0 111.178 176.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -44.17 77.65 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.938 0.895 . . . . 0.0 112.735 177.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -50.34 -36.8 33.73 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.963 0.801 . . . . 0.0 113.119 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -60.71 -57.82 11.1 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.652 1.114 . . . . 0.0 111.635 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 24.6 m -65.29 -34.39 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 118.529 0.604 . . . . 0.0 112.572 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 30.0 t -62.08 -50.19 81.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.808 1.243 . . . . 0.0 110.157 175.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -62.77 -28.64 70.12 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.788 0.835 . . . . 0.0 112.061 176.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 10.0 t60 -69.1 -65.72 0.67 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.678 0.791 . . . . 0.0 110.419 175.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 13.6 t -53.63 -35.08 60.56 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -175.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -73.53 -14.76 61.27 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 178.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -125.1 -9.68 5.03 Favored Glycine 0 CA--C 1.537 1.457 0 N-CA-C 116.479 1.351 . . . . 0.0 116.479 -177.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 47.6 t -58.59 144.24 43.56 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.218 1.407 . . . . 0.0 112.499 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 98.5 mttt -102.31 -4.5 25.52 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.508 1.923 . . . . 0.0 112.878 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -103.7 -58.73 1.83 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.446 1.898 . . . . 0.0 110.319 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 45.5 mtpt 54.54 177.37 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 128.522 2.729 . . . . 0.0 114.911 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 75.4 p -57.99 -37.41 74.19 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 120.667 -1.271 . . . . 0.0 113.453 -178.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -64.58 -24.29 67.55 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.226 1.011 . . . . 0.0 113.162 177.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -96.57 -21.31 22.13 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.916 1.246 . . . . 0.0 113.227 176.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 114.67 13.22 9.67 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 125.736 1.636 . . . . 0.0 115.798 179.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 20.7 t -60.38 120.89 55.87 Favored Pre-proline 0 CA--C 1.551 1.011 0 CA-C-N 119.254 1.527 . . . . 0.0 112.14 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -67.34 -39.95 11.87 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 123.041 2.494 . . . . 0.0 113.708 -178.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 61.5 t -58.0 -56.76 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.531 1.059 . . . . 0.0 110.725 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 56.2 m -53.52 -45.12 69.64 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.792 1.237 . . . . 0.0 110.53 177.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -41.85 78.22 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 118.466 -0.778 . . . . 0.0 112.473 177.158 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -61.4 -41.38 97.04 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.338 0.972 . . . . 0.0 111.372 178.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 6.1 mt -65.88 -53.33 41.01 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 122.927 0.491 . . . . 0.0 111.408 175.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 27.0 mm -58.05 -37.74 63.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 123.382 0.673 . . . . 0.0 112.26 -179.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -55.4 -49.6 71.95 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.59 1.087 . . . . 0.0 111.73 176.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 5.2 mp -68.16 -37.22 80.77 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.921 0.888 . . . . 0.0 111.579 177.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 76.2 m -60.5 -40.11 90.16 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.039 0.836 . . . . 0.0 110.656 174.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 84.7 m -64.89 -49.26 71.14 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.028 0.931 . . . . 0.0 111.333 176.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 38.5 t80 -60.12 -38.37 82.84 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.944 -0.473 . . . . 0.0 111.701 177.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 41.1 t60 -62.45 -58.41 7.73 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.107 0.963 . . . . 0.0 109.94 174.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -53.63 -30.47 43.0 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.69 1.596 . . . . 0.0 114.76 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -57.48 -47.23 82.43 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.468 1.507 . . . . 0.0 110.995 177.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 46.6 m80 -90.04 -27.45 19.71 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.603 1.961 . . . . 0.0 114.666 -178.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1834 ' ' CYS . . . . . 0.453 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 9.4 t -64.52 150.5 46.59 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.792 1.237 . . . . 0.0 113.567 -177.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -137.47 -3.78 1.89 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.372 1.869 . . . . 0.0 114.208 -178.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -75.72 113.39 13.13 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.738 -1.226 . . . . 0.0 111.613 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 36.1 t30 -60.35 -15.22 23.67 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -178.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -130.59 30.64 4.66 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 127.016 2.126 . . . . 0.0 113.279 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 33.3 t -48.82 134.68 14.12 Favored Pre-proline 0 CA--C 1.559 1.306 0 C-N-CA 126.172 1.789 . . . . 0.0 112.976 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -66.14 -21.9 54.97 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 123.587 2.858 . . . . 0.0 115.522 -177.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 75.9 t -65.16 116.61 31.87 Favored Pre-proline 0 N--CA 1.477 0.878 0 C-N-CA 124.553 1.141 . . . . 0.0 109.698 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -49.32 -50.46 12.89 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 124.114 3.209 . . . . 0.0 116.193 -176.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -78.55 -27.16 45.84 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -176.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 52.0 t -42.67 -67.65 0.25 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.456 1.902 . . . . 0.0 113.051 -177.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 63.3 mt -53.33 -35.75 60.53 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.481 1.512 . . . . 0.0 113.946 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -66.09 -48.96 69.21 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.514 0.597 . . . . 0.0 110.061 175.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 11.9 mm -58.17 -46.36 88.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 123.134 0.574 . . . . 0.0 110.669 176.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1848 ' ' LYS . . . . . 0.453 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 68.1 mttt -51.45 -44.54 62.41 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.347 0.976 . . . . 0.0 112.082 177.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 60.8 t60 -63.59 -51.98 62.98 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.434 0.694 . . . . 0.0 110.724 176.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 10.4 mptt -51.57 -41.22 61.0 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.181 1.393 . . . . 0.0 111.707 176.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 3.0 mp -60.18 -22.21 62.65 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.368 1.867 . . . . 0.0 115.145 177.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? . . . . . 0 N--CA 1.479 1.02 0 C-N-CA 124.915 1.286 . . . . 0.0 111.579 175.192 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 CA--C 1.541 0.622 0 CA-C-O 121.101 0.477 . . . . 0.0 111.42 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -152.57 135.56 9.4 Favored Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 125.873 1.669 . . . . 0.0 109.833 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -65.7 -15.24 48.44 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 122.756 2.304 . . . . 0.0 115.342 -177.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -96.95 -12.96 22.72 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.784 1.234 . . . . 0.0 113.603 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.09 -31.56 67.23 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -172.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -65.42 -42.8 92.12 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.606 1.162 . . . . 0.0 110.931 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.55 -25.12 65.65 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.344 1.058 . . . . 0.0 113.188 177.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 22.3 t -82.29 -47.4 19.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.399 1.08 . . . . 0.0 110.173 175.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 53.2 m -53.27 -37.82 62.5 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.687 1.595 . . . . 0.0 114.321 -176.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -67.6 -24.53 65.5 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 16.8 mt -90.04 -55.7 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 127.165 2.186 . . . . 0.0 110.443 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -150.36 98.78 3.25 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 127.603 2.361 . . . . 0.0 111.64 177.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -76.92 172.28 16.47 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 122.915 2.41 . . . . 0.0 111.498 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -71.52 -20.26 62.07 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 120.952 -1.093 . . . . 0.0 113.527 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 18.8 t -74.43 -47.8 31.5 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.385 1.474 . . . . 0.0 114.489 -178.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.5 m -140.24 158.59 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 124.677 1.191 . . . . 0.0 114.02 -176.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 58.8 tpp -78.4 62.51 3.05 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.394 1.478 . . . . 0.0 110.851 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 41.7 tp -56.64 -25.21 52.75 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 120.785 -1.197 . . . . 0.0 112.635 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.52 -21.2 24.54 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.972 1.309 . . . . 0.0 113.898 175.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 2.7 p -73.69 -16.38 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 119.286 0.948 . . . . 0.0 112.846 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -123.6 -19.58 5.78 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.304 1.442 . . . . 0.0 113.872 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -71.16 155.94 40.16 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.839 1.256 . . . . 0.0 111.997 177.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -142.01 90.51 0.18 Allowed Glycine 0 CA--C 1.529 0.92 0 C-N-CA 126.525 2.012 . . . . 0.0 109.879 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.33 133.09 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.422 1.489 . . . . 0.0 112.846 -176.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -59.14 8.46 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 130.12 3.368 . . . . 0.0 117.663 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 59.7 tp . . . . . 0 CA--C 1.551 0.988 0 C-N-CA 125.506 1.522 . . . . 0.0 114.382 179.339 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.693 0.282 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 8.7 mp -66.72 -38.66 87.16 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.05 1.34 . . . . 0.0 111.656 177.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 72.1 m -69.24 -38.37 78.45 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.183 -0.948 . . . . 0.0 112.473 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 45.4 mt -57.79 -60.23 2.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 124.434 1.094 . . . . 0.0 109.429 176.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -59.05 -35.1 72.76 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -64.15 -53.6 46.89 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.893 0.877 . . . . 0.0 110.275 174.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 34.5 t -58.58 -31.85 68.41 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.475 0.71 . . . . 0.0 111.843 176.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 50.8 mt -64.49 -29.89 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 O-C-N 120.451 -1.406 . . . . 0.0 111.691 174.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -62.59 -43.54 98.57 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.369 1.441 . . . . 0.0 109.56 174.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 4.0 m -60.75 -43.9 97.39 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.989 1.715 . . . . 0.0 110.502 175.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.14 -59.27 5.34 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.126 1.771 . . . . 0.0 110.618 176.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 96.9 t -54.92 -48.16 75.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.211 1.004 . . . . 0.0 111.17 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 27.3 t60 -55.0 -59.85 4.18 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.464 0.706 . . . . 0.0 110.482 176.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.49 -28.98 63.9 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -178.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 60.9 m -73.14 -17.67 61.36 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 176.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -119.88 -14.56 8.94 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.869 1.268 . . . . 0.0 114.392 179.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 13.0 t -51.23 117.17 2.41 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.698 1.999 . . . . 0.0 112.21 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 66.3 mmt-85 -71.04 -5.71 33.43 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.989 1.716 . . . . 0.0 114.705 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 38.8 t30 -128.81 109.05 10.95 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.734 1.614 . . . . 0.0 112.243 -178.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.17 -13.66 8.06 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 177.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 15.9 m120 -109.3 10.24 25.66 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.195 1.798 . . . . 0.0 113.983 -178.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 49.4 t -44.05 114.59 0.69 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.179 2.192 . . . . 0.0 111.607 178.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 2.2 m -73.23 1.55 9.13 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 116.372 1.989 . . . . 0.0 116.372 -173.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 17.4 tp -62.37 126.86 88.9 Favored Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 124.802 1.241 . . . . 0.0 108.802 177.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -57.8 -34.29 98.04 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.325 2.017 . . . . 0.0 114.432 -174.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 8.3 p -66.29 -53.25 38.82 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.792 0.837 . . . . 0.0 111.031 174.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 9.8 t -56.13 -49.95 72.47 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.618 1.567 . . . . 0.0 110.869 178.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -46.94 -58.44 3.95 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.973 1.709 . . . . 0.0 111.298 175.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -63.48 -40.72 97.84 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 3.3 tpt -59.57 -41.59 90.54 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.353 0.524 . . . . 0.0 111.958 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 6.1 mptp? -54.81 -35.73 64.21 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.944 0.897 . . . . 0.0 112.598 177.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -60.78 -56.44 21.17 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.867 1.212 . . . . 0.0 111.356 176.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 16.2 m -63.85 -37.87 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 118.713 0.688 . . . . 0.0 112.442 178.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 41.4 t -60.99 -50.62 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.373 1.069 . . . . 0.0 110.692 176.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -62.83 -30.22 71.33 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.059 0.944 . . . . 0.0 112.099 176.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 5.8 t60 -68.21 -65.7 0.66 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.814 0.846 . . . . 0.0 110.356 176.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 13.4 t -53.66 -34.57 59.09 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -176.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -74.05 -10.11 59.3 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -143.22 6.86 2.03 Favored Glycine 0 CA--C 1.538 1.527 0 N-CA-C 117.415 1.726 . . . . 0.0 117.415 -176.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 41.1 t -55.81 146.76 20.72 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 119.355 1.577 . . . . 0.0 113.221 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -66.19 -23.0 66.37 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.531 1.932 . . . . 0.0 113.305 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -134.1 -30.33 1.2 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 -178.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 61.2 mtpt 55.6 -174.33 0.05 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.05 1.74 . . . . 0.0 113.883 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 9.9 p -55.99 -44.05 78.22 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.523 -1.36 . . . . 0.0 112.573 177.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -61.32 -22.0 64.49 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.403 1.081 . . . . 0.0 113.515 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -101.91 -6.25 49.39 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.82 1.676 . . . . 0.0 113.61 176.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 101.48 12.62 35.09 Favored Glycine 0 CA--C 1.537 1.446 0 N-CA-C 117.385 1.714 . . . . 0.0 117.385 176.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 14.6 t -62.71 120.41 59.8 Favored Pre-proline 0 CA--C 1.553 1.072 0 CA-C-N 120.17 1.985 . . . . 0.0 113.355 -178.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -66.44 -35.61 29.91 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.095 2.53 . . . . 0.0 114.057 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 58.6 t -62.68 -52.4 60.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 119.722 1.147 . . . . 0.0 110.199 178.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 58.3 m -55.78 -50.74 69.63 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.731 1.213 . . . . 0.0 110.097 176.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1821 ' ' LYS . . . . . 0.431 ' O ' ' HE2' ' A' 1821 ' ' LYS . 0.0 OUTLIER -53.27 -45.14 68.73 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.024 0.93 . . . . 0.0 110.903 176.868 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.62 -47.81 83.12 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.358 0.663 . . . . 0.0 112.206 177.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.58 -45.47 93.99 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.318 0.963 . . . . 0.0 111.048 176.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 26.9 mm -63.23 -33.98 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 123.691 0.797 . . . . 0.0 112.094 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -60.82 -39.65 89.83 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 120.413 1.46 . . . . 0.0 110.371 175.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.99 -44.71 79.68 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.865 0.866 . . . . 0.0 111.03 174.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 77.5 m -58.78 -35.94 73.62 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.7 0.8 . . . . 0.0 110.776 175.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 88.8 m -63.29 -52.61 61.26 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.962 0.905 . . . . 0.0 110.617 175.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 29.6 t80 -56.5 -42.96 79.21 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.339 0.972 . . . . 0.0 111.299 176.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 53.0 t60 -58.6 -61.58 2.49 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.07 0.548 . . . . 0.0 110.234 176.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -55.67 -32.17 63.01 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.464 1.506 . . . . 0.0 114.397 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -56.63 -48.0 78.48 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.979 1.712 . . . . 0.0 111.008 177.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 44.2 m80 -90.09 -21.22 22.4 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.412 1.885 . . . . 0.0 114.958 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1834 ' ' CYS . . . . . 0.426 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 6.8 t -65.37 165.01 12.55 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.854 1.261 . . . . 0.0 113.836 -178.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -153.18 -3.17 0.21 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.279 1.832 . . . . 0.0 115.111 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -73.13 128.71 36.26 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 120.778 -1.202 . . . . 0.0 112.029 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 36.3 t30 -67.83 -21.99 65.18 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -178.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -137.17 47.95 2.09 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.914 2.085 . . . . 0.0 111.722 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 11.9 t -54.99 135.41 67.18 Favored Pre-proline 0 CA--C 1.558 1.269 0 C-N-CA 125.584 1.553 . . . . 0.0 112.044 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -65.32 -19.49 61.9 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 123.478 2.785 . . . . 0.0 115.231 -177.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 81.2 t -72.02 116.56 49.75 Favored Pre-proline 0 N--CA 1.475 0.789 0 C-N-CA 124.823 1.249 . . . . 0.0 110.172 178.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -51.3 -47.71 24.67 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.953 3.102 . . . . 0.0 115.539 -178.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -76.88 -23.99 52.6 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 114.916 1.45 . . . . 0.0 114.916 -177.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 53.7 t -48.17 -67.11 0.3 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.36 1.464 . . . . 0.0 112.575 -177.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 1.3 mp -53.09 -38.95 63.01 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.095 1.358 . . . . 0.0 113.467 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -61.17 -50.1 74.52 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.59 0.756 . . . . 0.0 110.222 175.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 9.8 mm -59.78 -45.92 94.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 118.841 -0.599 . . . . 0.0 110.776 175.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1848 ' ' LYS . . . . . 0.426 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 66.1 mttt -50.97 -45.6 60.91 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 119.795 1.18 . . . . 0.0 111.055 176.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 57.2 t60 -62.32 -47.51 83.93 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.384 0.674 . . . . 0.0 111.143 175.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -54.33 -39.61 67.22 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.742 0.817 . . . . 0.0 112.026 177.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.16 -33.33 75.76 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.065 1.746 . . . . 0.0 113.775 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? . . . . . 0 N--CA 1.481 1.087 0 CA-C-N 119.563 1.074 . . . . 0.0 113.418 179.503 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 CA--C 1.544 0.715 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -145.89 130.06 8.68 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 124.95 1.3 . . . . 0.0 109.926 176.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -63.34 -19.17 67.68 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 122.685 2.257 . . . . 0.0 115.289 -175.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -82.12 -16.0 51.42 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.452 -0.78 . . . . 0.0 112.86 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -60.52 -30.28 69.64 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.619 1.1 . . . . 0.0 113.951 -176.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -64.17 -45.69 87.3 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.419 1.088 . . . . 0.0 111.019 177.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.44 -48.41 70.07 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.868 1.267 . . . . 0.0 110.893 176.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 74.0 t -52.86 -45.97 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.049 0.94 . . . . 0.0 110.065 176.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 71.1 m -58.86 -29.28 66.85 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -75.5 -20.74 58.55 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 120.647 1.567 . . . . 0.0 112.585 176.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 5.7 mt -90.19 -53.23 9.45 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 C-N-CA 125.458 1.503 . . . . 0.0 110.092 176.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -149.26 93.09 4.17 Favored Pre-proline 0 CA--C 1.558 1.285 0 C-N-CA 127.244 2.218 . . . . 0.0 111.87 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -75.74 171.24 18.56 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 124.283 3.322 . . . . 0.0 113.783 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -67.51 -19.56 65.32 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 23.1 p -75.49 -51.51 12.82 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.566 1.547 . . . . 0.0 113.247 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 35.1 m -144.47 157.27 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 125.737 1.615 . . . . 0.0 113.19 -177.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 8.1 tpt -74.38 52.75 0.49 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.966 2.106 . . . . 0.0 111.984 175.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 28.0 tp -45.68 -28.46 1.01 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 127.797 2.439 . . . . 0.0 115.603 -174.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.56 -16.75 17.01 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.529 1.132 . . . . 0.0 113.817 175.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 4.1 p -73.38 -14.72 16.78 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 C-N-CA 124.555 1.142 . . . . 0.0 112.343 174.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -131.86 -30.14 1.63 Allowed 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.23 169.16 18.82 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 120.231 1.378 . . . . 0.0 112.213 177.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.95 114.82 1.18 Allowed Glycine 0 CA--C 1.53 1.002 0 C-N-CA 124.1 0.857 . . . . 0.0 113.946 -177.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 67.1 mt -66.02 112.92 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 125.107 1.363 . . . . 0.0 109.512 176.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -76.29 67.23 2.51 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.802 1.241 . . . . 0.0 110.568 176.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 59.5 tp . . . . . 0 N--CA 1.474 0.736 0 C-N-CA 127.284 2.234 . . . . 0.0 113.285 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 53.9 m . . . . . 0 CA--C 1.543 0.694 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -67.01 -16.03 48.43 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 123.369 2.713 . . . . 0.0 114.083 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -72.9 -19.83 61.2 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.13 1.772 . . . . 0.0 112.59 177.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -53.19 -56.86 13.06 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.176 1.39 . . . . 0.0 113.091 -177.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 67.1 p -55.06 -43.25 73.66 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.86 0.864 . . . . 0.0 113.33 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.5 -47.53 63.56 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.721 0.808 . . . . 0.0 111.222 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -58.5 -40.42 82.76 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.876 1.271 . . . . 0.0 111.695 176.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 6.5 mp -66.23 -43.42 86.65 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.514 1.126 . . . . 0.0 110.828 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 60.0 m -61.54 -43.0 99.65 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.491 -0.755 . . . . 0.0 111.136 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 52.6 mt -56.64 -61.59 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 124.784 1.233 . . . . 0.0 110.437 175.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -61.54 -34.01 74.81 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -178.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 71.5 mmt-85 -63.37 -49.9 72.02 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.081 0.855 . . . . 0.0 110.459 175.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 17.8 t -62.63 -31.97 72.92 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.287 0.635 . . . . 0.0 111.864 176.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 48.9 mt -64.66 -27.64 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 120.564 -1.335 . . . . 0.0 112.052 175.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -66.25 -40.02 89.91 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 120.456 -1.403 . . . . 0.0 109.363 173.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 3.3 m -63.16 -39.89 95.97 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.773 1.629 . . . . 0.0 110.951 175.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 54.9 tp -57.36 -57.75 11.28 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.271 1.428 . . . . 0.0 109.694 174.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 98.6 t -54.58 -51.42 50.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-O 118.36 -0.828 . . . . 0.0 110.439 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 18.2 t60 -51.29 -61.88 1.96 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.032 0.933 . . . . 0.0 111.033 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.45 -25.95 60.45 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -178.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 69.5 m -80.55 -14.8 57.92 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.236 1.015 . . . . 0.0 113.702 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -120.04 -12.45 9.12 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.201 1.4 . . . . 0.0 114.689 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 19.8 t -54.52 120.38 6.57 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 127.353 2.261 . . . . 0.0 111.913 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -68.69 -7.72 35.99 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.98 2.112 . . . . 0.0 116.384 -176.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 33.6 t30 -140.19 115.23 9.72 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.88 1.272 . . . . 0.0 112.464 -177.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -58.82 -17.26 22.05 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -95.19 6.94 47.66 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 126.68 1.992 . . . . 0.0 114.269 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 46.8 t -44.23 125.34 4.48 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.814 2.046 . . . . 0.0 113.152 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 38.7 m -79.77 -5.23 54.92 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -176.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.04 116.34 23.95 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 126.31 1.844 . . . . 0.0 108.506 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -47.35 -41.94 28.16 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.655 2.904 . . . . 0.0 115.356 -175.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 19.9 m -66.92 -42.78 84.78 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.394 0.677 . . . . 0.0 112.013 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 32.6 t -61.85 -50.98 70.08 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.474 1.51 . . . . 0.0 109.359 176.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -50.25 -50.22 50.7 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.546 1.138 . . . . 0.0 112.164 176.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 81.5 mttt -63.5 -46.44 86.11 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.286 1.034 . . . . 0.0 111.365 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 3.1 tpt -59.33 -41.18 88.55 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.232 1.013 . . . . 0.0 112.768 177.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -50.38 -39.66 47.35 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.23 1.412 . . . . 0.0 112.81 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -59.57 -58.19 9.67 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.255 0.934 . . . . 0.0 111.948 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 17.2 m -63.4 -36.77 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 118.437 0.562 . . . . 0.0 112.443 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 44.6 t -61.64 -50.67 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.24 1.016 . . . . 0.0 110.298 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -62.99 -30.32 71.5 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.211 1.004 . . . . 0.0 112.217 176.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 7.9 t60 -68.19 -66.4 0.57 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.926 0.891 . . . . 0.0 110.131 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 6.6 t -55.32 -34.05 63.84 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.873 1.435 . . . . 0.0 114.873 -175.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -71.07 -16.17 62.57 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -122.23 -12.88 5.06 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.119 1.342 . . . . 0.0 115.993 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 38.6 t -58.0 115.82 3.12 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.537 1.535 . . . . 0.0 111.992 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -71.34 -8.37 53.28 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.365 1.466 . . . . 0.0 113.324 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -106.89 -60.97 1.6 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.897 2.079 . . . . 0.0 111.13 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1812 ' ' LYS . . . . . . . . . . . . 0.307 2.7 ptpp? 46.08 -166.39 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 128.441 2.696 . . . . 0.0 114.804 -175.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 40.1 p -56.35 -30.19 62.34 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 120.693 -1.254 . . . . 0.0 113.105 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -60.21 -40.3 89.62 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.04 1.336 . . . . 0.0 112.141 176.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -96.08 -5.3 59.61 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.465 1.507 . . . . 0.0 114.555 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 99.6 13.29 38.44 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.371 1.462 . . . . 0.0 116.552 178.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 33.3 t -58.34 121.49 52.58 Favored Pre-proline 0 CA--C 1.553 1.086 0 CA-C-N 119.423 1.612 . . . . 0.0 111.83 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -66.81 -39.2 15.35 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 123.026 2.484 . . . . 0.0 114.204 -178.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 78.8 t -56.11 -58.48 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 124.602 1.161 . . . . 0.0 111.267 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 32.4 m -52.73 -43.13 65.5 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.708 1.603 . . . . 0.0 111.168 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.84 -46.0 90.64 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.632 1.173 . . . . 0.0 111.292 176.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -58.76 -42.78 89.72 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.294 0.952 . . . . 0.0 111.336 178.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -51.97 61.72 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.383 0.611 . . . . 0.0 111.053 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 53.0 mt -61.92 -30.54 48.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 125.138 1.375 . . . . 0.0 112.514 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.49 90.5 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.012 1.278 . . . . 0.0 111.227 175.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 6.0 mp -70.24 -39.21 75.17 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.338 1.055 . . . . 0.0 111.047 175.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 85.9 m -59.62 -38.3 80.95 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.416 0.553 . . . . 0.0 110.534 173.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 49.2 t -64.8 -51.93 59.56 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.903 1.281 . . . . 0.0 110.935 176.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 35.5 t80 -54.95 -44.96 74.81 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.167 0.587 . . . . 0.0 111.046 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 58.1 t60 -58.14 -60.72 3.3 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.796 0.839 . . . . 0.0 110.414 175.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -55.2 -33.57 63.16 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.533 1.533 . . . . 0.0 114.844 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -56.03 -44.17 78.5 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.821 1.648 . . . . 0.0 110.851 177.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -90.22 -27.63 19.39 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.75 1.62 . . . . 0.0 114.842 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 12.3 t -66.24 165.17 14.37 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.178 1.391 . . . . 0.0 112.994 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -153.16 -3.17 0.21 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.74 2.016 . . . . 0.0 114.783 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -71.85 113.47 8.91 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 120.771 -1.206 . . . . 0.0 111.098 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 31.7 t30 -61.24 -14.04 23.07 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -131.88 28.71 4.5 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.888 2.075 . . . . 0.0 113.534 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 7.8 t -48.73 136.4 13.26 Favored Pre-proline 0 CA--C 1.557 1.236 0 C-N-CA 126.549 1.939 . . . . 0.0 112.1 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -63.51 -23.64 70.75 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 123.41 2.74 . . . . 0.0 114.825 -177.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 95.3 t -69.94 121.81 84.02 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 124.622 1.169 . . . . 0.0 108.963 176.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -64.48 -43.62 13.32 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.718 2.279 . . . . 0.0 114.203 -175.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -70.62 -29.94 66.46 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 40.5 t -46.7 -65.62 0.53 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.6 1.56 . . . . 0.0 111.747 -178.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 58.3 mt -53.03 -38.28 62.27 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.142 1.377 . . . . 0.0 113.617 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -63.57 -51.61 64.64 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.52 0.6 . . . . 0.0 109.73 176.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 11.3 mm -58.15 -46.27 88.46 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-O 118.863 -0.589 . . . . 0.0 110.88 177.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -51.25 -44.66 61.8 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 119.742 1.155 . . . . 0.0 111.771 176.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 53.8 t60 -68.4 -36.51 79.22 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.931 0.892 . . . . 0.0 112.837 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -68.54 -41.28 80.08 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.506 1.523 . . . . 0.0 111.475 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 20.5 mt -56.05 -40.31 73.32 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.288 1.435 . . . . 0.0 111.886 176.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -62.13 -27.2 68.77 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 176.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -75.06 -21.3 59.08 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.453 0.701 . . . . 0.0 112.41 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -78.26 -21.36 49.98 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.825 1.25 . . . . 0.0 113.083 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 . . . . . 0 C--O 1.24 0.585 0 C-N-CA 124.773 1.229 . . . . 0.0 112.048 179.552 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 42.6 m . . . . . 0 CA--C 1.54 0.565 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -68.27 -16.25 63.89 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.641 1.576 . . . . 0.0 114.316 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 3.5 ppp? -145.96 166.56 25.67 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.532 1.933 . . . . 0.0 111.751 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.08 123.4 89.53 Favored Pre-proline 0 CA--C 1.55 0.97 0 C-N-CA 124.131 0.972 . . . . 0.0 111.235 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -66.36 -66.39 0.04 OUTLIER 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.377 2.718 . . . . 0.0 113.045 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -163.71 174.75 11.27 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.389 2.276 . . . . 0.0 110.441 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -145.55 117.74 5.17 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 125.131 1.372 . . . . 0.0 109.365 176.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -49.1 -32.24 23.53 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.716 2.944 . . . . 0.0 115.978 -178.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -73.62 -16.24 61.24 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.535 1.134 . . . . 0.0 113.035 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -60.03 -25.82 65.61 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 120.119 1.327 . . . . 0.0 113.641 -177.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -68.16 -32.55 72.89 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.557 1.143 . . . . 0.0 111.438 176.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.92 -29.11 55.54 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.42 1.088 . . . . 0.0 111.696 175.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 29.8 t -76.92 -49.97 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.261 1.025 . . . . 0.0 110.484 177.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 51.0 m -52.64 -41.49 63.81 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.091 1.756 . . . . 0.0 114.718 -176.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -66.65 -20.98 66.11 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 10.4 mt -90.26 -55.05 6.66 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 C-N-CA 126.027 1.731 . . . . 0.0 110.043 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 16.1 p90 -150.7 100.06 3.12 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 127.93 2.492 . . . . 0.0 111.787 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -78.37 176.57 9.77 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 123.311 2.674 . . . . 0.0 112.154 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -67.02 -29.77 69.68 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.287 -0.883 . . . . 0.0 112.889 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 20.4 m -72.66 -46.53 53.42 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.821 1.785 . . . . 0.0 115.821 -176.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 35.0 m -143.77 162.05 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 124.657 1.183 . . . . 0.0 113.87 -175.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 48.6 tpp -80.5 64.5 5.32 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.922 1.289 . . . . 0.0 110.669 175.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 50.4 tp -56.45 -24.83 48.11 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.839 1.255 . . . . 0.0 113.068 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.04 -18.87 38.69 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.439 1.096 . . . . 0.0 113.55 175.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 2.6 p -72.5 -16.15 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.183 0.902 . . . . 0.0 112.617 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -125.16 -22.79 4.32 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.306 1.442 . . . . 0.0 114.101 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -72.19 155.72 39.93 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.304 1.042 . . . . 0.0 111.994 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -138.73 92.83 0.2 Allowed Glycine 0 CA--C 1.532 1.133 0 C-N-CA 125.813 1.673 . . . . 0.0 112.114 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 74.0 mt -62.07 119.6 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.292 1.437 . . . . 0.0 110.239 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -80.19 64.84 5.14 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.184 1.394 . . . . 0.0 111.974 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 67.2 tp -49.07 -25.92 2.36 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.392 1.877 . . . . 0.0 114.279 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 54.9 mt -56.58 -16.37 6.0 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.573 1.949 . . . . 0.0 113.376 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.1 t -64.14 -12.77 42.97 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.94 2.096 . . . . 0.0 114.358 176.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -60.84 158.61 31.85 Favored Pre-proline 0 CA--C 1.555 1.171 0 C-N-CA 124.667 1.187 . . . . 0.0 112.379 178.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -69.13 137.6 37.7 Favored 'Trans proline' 0 CA--C 1.546 1.119 0 C-N-CA 122.596 2.197 . . . . 0.0 112.775 -177.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -75.08 174.75 12.26 Favored 'Trans proline' 0 CA--C 1.543 0.939 0 C-N-CA 123.594 2.862 . . . . 0.0 112.903 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.31 157.44 63.77 Favored Pre-proline 0 CA--C 1.554 1.123 0 C-N-CA 124.997 1.319 . . . . 0.0 112.246 177.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -67.86 -14.5 41.63 Favored 'Trans proline' 0 CA--C 1.544 1.021 0 C-N-CA 123.263 2.642 . . . . 0.0 114.211 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -170.61 154.8 23.67 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 126.093 1.806 . . . . 0.0 112.034 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 75.4 m -144.54 160.91 46.3 Favored Pre-proline 0 N--CA 1.477 0.885 0 C-N-CA 125.927 1.691 . . . . 0.0 111.536 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.53 -35.98 98.74 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.741 2.961 . . . . 0.0 115.162 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 . . . . . 0 N--CA 1.478 0.942 0 C-N-CA 127.576 2.35 . . . . 0.0 113.972 -178.833 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 17.9 t . . . . . 0 CA--C 1.539 0.547 0 CA-C-O 119.197 -0.43 . . . . 0.0 112.084 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -66.29 -34.31 36.01 Favored 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 122.687 2.258 . . . . 0.0 111.465 177.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -64.35 -46.02 85.25 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.171 0.989 . . . . 0.0 110.443 176.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -61.14 -51.29 69.71 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.581 0.752 . . . . 0.0 110.196 176.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 23.0 t -53.2 -48.28 68.21 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.567 1.147 . . . . 0.0 111.871 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 36.3 ttp-105 -60.25 -49.88 75.88 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.3 1.44 . . . . 0.0 111.677 176.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -59.58 -41.87 91.22 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.178 0.991 . . . . 0.0 112.158 178.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.48 -42.31 92.37 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.755 1.222 . . . . 0.0 110.71 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 75.0 m -59.81 -47.93 83.73 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.922 0.889 . . . . 0.0 111.225 177.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 49.9 mt -55.51 -60.69 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 125.383 1.473 . . . . 0.0 110.531 177.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -61.42 -36.02 79.17 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.066 1.135 . . . . 0.0 114.066 -178.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -60.8 -55.66 30.43 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.333 1.053 . . . . 0.0 110.146 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 27.3 t -56.09 -38.5 70.79 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 122.984 0.514 . . . . 0.0 111.668 176.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 46.4 mt -60.57 -30.9 47.67 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 C-N-CA 123.911 0.884 . . . . 0.0 112.333 175.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -63.36 -45.9 89.03 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 120.717 1.599 . . . . 0.0 110.223 174.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 22.6 m -61.32 -39.36 90.21 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.808 1.243 . . . . 0.0 111.357 176.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.62 -52.65 63.5 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.214 1.406 . . . . 0.0 110.755 176.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 86.4 t -56.8 -49.55 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-O 118.705 -0.664 . . . . 0.0 109.968 176.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 30.3 t60 -52.53 -57.1 11.01 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.764 0.825 . . . . 0.0 110.535 176.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -55.5 -31.41 62.02 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 87.2 m -76.14 -14.48 60.17 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -120.04 -12.87 9.06 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 8.8 t -61.75 107.3 0.8 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.113 1.765 . . . . 0.0 112.261 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -3.2 20.98 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 -177.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 31.6 t30 -136.4 109.31 7.62 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.611 1.096 . . . . 0.0 112.084 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -57.85 -16.25 11.13 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -88.56 3.53 50.03 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.906 1.683 . . . . 0.0 113.543 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 49.7 t -46.71 124.68 6.33 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.018 2.127 . . . . 0.0 111.542 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 16.4 m -74.79 -2.65 27.58 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 116.395 1.998 . . . . 0.0 116.395 -174.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 12.5 tp -64.96 132.08 95.38 Favored Pre-proline 0 CA--C 1.546 0.789 0 CA-C-N 120.805 1.639 . . . . 0.0 109.294 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -63.51 -35.9 57.41 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 121.959 1.773 . . . . 0.0 113.159 -176.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 16.5 p -72.2 -44.04 63.58 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.803 1.241 . . . . 0.0 113.144 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 43.7 t -57.2 -44.31 83.54 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.481 1.512 . . . . 0.0 113.172 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -61.81 -52.32 64.68 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.587 1.555 . . . . 0.0 110.83 -177.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -62.4 -50.97 69.41 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.179 1.392 . . . . 0.0 110.655 175.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 63.0 tpp -52.72 -42.73 65.14 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.385 1.074 . . . . 0.0 111.666 177.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -51.95 -42.72 63.07 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.489 1.116 . . . . 0.0 112.983 176.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -60.32 -43.28 96.54 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 119.66 1.118 . . . . 0.0 111.496 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 1.7 t -68.22 -44.16 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.053 0.941 . . . . 0.0 110.962 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 55.4 t -59.09 -44.06 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.757 1.223 . . . . 0.0 110.294 176.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -66.59 -25.96 66.87 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.972 1.309 . . . . 0.0 112.669 176.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 7.3 t60 -69.91 -66.63 0.57 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.897 0.879 . . . . 0.0 109.779 176.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 6.0 t -55.7 -36.35 67.07 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -174.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -66.4 -14.03 61.54 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -134.87 3.39 4.16 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 125.067 1.318 . . . . 0.0 116.093 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 49.7 t -57.81 130.04 44.64 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.031 1.416 . . . . 0.0 112.804 -178.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 99.2 mttt -72.81 -8.17 54.2 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.71 1.604 . . . . 0.0 112.998 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -118.71 -56.28 2.13 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.515 1.926 . . . . 0.0 111.719 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1812 ' ' LYS . . . . . 0.423 ' HG2' ' H ' ' A' 1813 ' ' THR . 33.6 tttt 54.05 -174.17 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 127.439 2.295 . . . . 0.0 113.54 -177.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1813 ' ' THR . . . . . 0.423 ' H ' ' HG2' ' A' 1812 ' ' LYS . 40.0 p -58.56 -30.1 66.89 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 120.514 -1.366 . . . . 0.0 112.807 177.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -59.5 -40.09 85.93 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.923 1.289 . . . . 0.0 112.02 176.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -93.06 -6.44 63.24 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.096 1.331 . . . . 0.0 114.116 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 97.69 15.16 38.04 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.647 1.594 . . . . 0.0 116.219 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 20.6 t -56.97 119.49 30.96 Favored Pre-proline 0 CA--C 1.552 1.046 0 CA-C-N 119.432 1.616 . . . . 0.0 111.91 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -65.53 -38.82 23.76 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.008 2.472 . . . . 0.0 113.998 -177.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 59.2 t -55.94 -58.02 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-N 119.642 1.11 . . . . 0.0 110.231 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 37.4 m -53.05 -46.17 68.41 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.884 1.674 . . . . 0.0 110.742 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.65 -43.46 72.36 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.868 0.867 . . . . 0.0 112.067 177.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -60.41 -42.97 97.1 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.437 1.017 . . . . 0.0 111.566 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 8.1 mt -66.59 -53.33 35.53 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.037 0.535 . . . . 0.0 111.488 176.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 34.4 mm -57.73 -35.1 49.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 123.998 0.919 . . . . 0.0 112.084 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -58.36 -52.16 66.76 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 119.503 1.047 . . . . 0.0 111.341 175.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 4.6 mp -68.01 -36.26 79.67 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.725 0.81 . . . . 0.0 111.848 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 84.7 m -60.27 -42.31 95.13 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.173 0.897 . . . . 0.0 110.352 172.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 49.0 t -63.92 -49.39 72.8 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.682 1.193 . . . . 0.0 111.141 177.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 29.1 t80 -57.11 -44.81 83.61 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.954 -0.466 . . . . 0.0 111.355 176.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 45.6 t60 -57.97 -57.19 13.9 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.095 0.958 . . . . 0.0 110.336 175.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -54.47 -30.01 51.75 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.565 1.546 . . . . 0.0 114.574 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -55.35 -50.79 68.76 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.713 1.605 . . . . 0.0 110.889 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -90.15 -25.91 20.44 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.651 1.58 . . . . 0.0 114.73 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1834 ' ' CYS . . . . . 0.44 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 9.6 t -62.21 144.1 55.94 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.001 0.92 . . . . 0.0 113.156 -177.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -132.29 -1.36 3.59 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.531 1.933 . . . . 0.0 113.787 -176.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -77.01 115.24 16.63 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.7 -1.25 . . . . 0.0 111.273 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -59.7 -21.9 61.25 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -178.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -127.22 32.85 4.99 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.449 1.9 . . . . 0.0 113.545 -177.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 19.3 t -49.27 135.06 16.52 Favored Pre-proline 0 CA--C 1.56 1.336 0 C-N-CA 126.198 1.799 . . . . 0.0 112.589 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -65.08 -21.72 62.72 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 123.589 2.859 . . . . 0.0 115.564 -176.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 93.6 t -69.43 114.47 24.36 Favored Pre-proline 0 N--CA 1.476 0.862 0 C-N-CA 124.782 1.233 . . . . 0.0 109.396 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -52.46 -44.09 49.63 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 123.611 2.874 . . . . 0.0 115.267 -177.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -78.32 -24.91 46.4 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 -177.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 42.6 t -49.83 -67.56 0.25 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.31 1.444 . . . . 0.0 111.843 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 73.9 mt -51.36 -40.02 58.3 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.344 1.858 . . . . 0.0 113.249 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -63.04 -49.51 74.31 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.003 0.921 . . . . 0.0 110.504 176.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 7.5 mm -58.83 -44.71 91.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-O 118.553 -0.737 . . . . 0.0 110.73 174.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1848 ' ' LYS . . . . . 0.44 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 65.0 mttt -52.7 -44.84 66.58 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 120.018 1.281 . . . . 0.0 111.389 176.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 46.7 t60 -60.23 -51.08 71.07 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 122.846 0.458 . . . . 0.0 110.605 175.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -53.44 -45.43 69.47 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.143 0.977 . . . . 0.0 111.724 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 5.1 mp -57.61 -47.2 82.83 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.831 1.652 . . . . 0.0 111.841 176.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -71.71 -23.32 61.62 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.225 1.01 . . . . 0.0 113.661 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -80.89 -7.61 59.52 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.033 1.733 . . . . 0.0 113.642 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -61.84 158.66 15.42 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.504 1.122 . . . . 0.0 112.903 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 15.2 mm100 . . . . . 0 N--CA 1.474 0.731 0 C-N-CA 127.129 2.172 . . . . 0.0 113.649 179.297 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 43.7 m . . . . . 0 CA--C 1.54 0.588 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -143.95 168.15 20.67 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.982 1.713 . . . . 0.0 112.801 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -78.13 179.45 6.84 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.426 1.49 . . . . 0.0 112.527 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.63 144.18 80.31 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 124.339 1.056 . . . . 0.0 112.082 177.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -75.17 -96.4 0.01 OUTLIER 'Trans proline' 0 CA--C 1.546 1.077 0 C-N-CA 123.679 2.919 . . . . 0.0 111.178 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -162.66 169.03 20.75 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.88 1.672 . . . . 0.0 111.708 177.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -157.65 117.61 1.95 Allowed Pre-proline 0 CA--C 1.543 0.693 0 C-N-CA 126.301 1.84 . . . . 0.0 109.183 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -48.33 -32.93 21.07 Favored 'Trans proline' 0 CA--C 1.537 0.645 0 C-N-CA 123.544 2.829 . . . . 0.0 115.847 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -70.66 -20.06 62.74 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.174 0.989 . . . . 0.0 113.175 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -61.15 -28.01 68.8 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.278 0.945 . . . . 0.0 112.409 -177.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -61.37 -37.66 84.18 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.36 1.464 . . . . 0.0 111.074 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.01 -32.41 24.94 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.926 1.29 . . . . 0.0 112.764 177.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 79.1 t -67.84 -46.04 83.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.219 1.008 . . . . 0.0 110.35 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 32.0 t -46.95 -51.04 17.93 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.9 2.08 . . . . 0.0 114.654 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -64.15 -22.3 66.88 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 17.3 mt -90.08 -54.59 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.704 1.602 . . . . 0.0 109.978 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -153.61 99.32 2.62 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 128.395 2.678 . . . . 0.0 111.474 178.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -80.3 167.44 19.48 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 123.166 2.577 . . . . 0.0 111.765 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -60.77 -20.09 60.68 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 59.6 p -87.27 -19.26 28.54 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 p -156.39 150.69 9.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 120.512 1.506 . . . . 0.0 114.515 -177.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.65 33.01 0.08 Allowed 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 127.263 2.225 . . . . 0.0 112.94 173.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 51.7 tp -40.17 -24.63 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 127.471 2.309 . . . . 0.0 116.131 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.85 -28.7 16.78 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.653 1.181 . . . . 0.0 112.987 173.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.92 -14.76 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.593 1.157 . . . . 0.0 113.159 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -114.24 -30.33 6.65 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.13 1.772 . . . . 0.0 112.927 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -66.44 163.71 17.84 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.421 1.888 . . . . 0.0 113.824 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.74 82.25 0.16 Allowed Glycine 0 CA--C 1.533 1.175 0 C-N-CA 125.947 1.737 . . . . 0.0 111.889 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 80.2 mt -55.6 127.74 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.883 1.673 . . . . 0.0 111.528 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -75.06 65.63 1.51 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.843 1.657 . . . . 0.0 113.589 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 65.5 tp -79.81 -24.64 41.25 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 121.127 -0.983 . . . . 0.0 112.082 175.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.31 -34.09 45.28 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 127.563 2.345 . . . . 0.0 114.014 -176.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.1 t -76.47 -5.01 45.61 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.791 1.636 . . . . 0.0 114.541 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -104.42 154.6 38.25 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 125.627 1.571 . . . . 0.0 112.093 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -72.92 156.86 52.15 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 122.935 2.423 . . . . 0.0 112.63 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -76.89 -11.4 18.14 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 123.743 2.962 . . . . 0.0 114.408 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -140.61 158.3 66.11 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 126.229 1.812 . . . . 0.0 111.627 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -81.3 -8.77 12.78 Favored 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 123.279 2.653 . . . . 0.0 114.192 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -75.42 -4.13 73.47 Favored Glycine 0 CA--C 1.536 1.399 0 N-CA-C 117.096 1.598 . . . . 0.0 117.096 -176.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 56.1 m -58.5 118.6 29.36 Favored Pre-proline 0 CA--C 1.546 0.806 0 CA-C-N 119.313 1.556 . . . . 0.0 111.956 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -74.48 -14.94 22.37 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 123.204 2.603 . . . . 0.0 114.622 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 . . . . . 0 N--CA 1.471 0.611 0 C-N-CA 125.366 1.466 . . . . 0.0 111.871 -179.871 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 68.6 m . . . . . 0 CA--C 1.54 0.581 0 CA-C-O 119.328 -0.368 . . . . 0.0 111.938 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -50.04 -35.98 43.25 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 124.102 3.202 . . . . 0.0 114.332 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -58.0 -25.59 61.27 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.964 1.306 . . . . 0.0 113.669 177.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -67.34 -59.87 3.05 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.443 -0.786 . . . . 0.0 109.134 175.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 43.9 m -54.28 -41.92 69.44 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.767 1.227 . . . . 0.0 112.126 177.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -57.69 -34.44 69.44 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.479 1.912 . . . . 0.0 113.029 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -88.25 -34.79 17.62 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.671 1.589 . . . . 0.0 111.873 176.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.55 -34.97 79.1 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.948 1.299 . . . . 0.0 112.638 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 79.3 p -63.63 -44.19 94.61 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.098 0.863 . . . . 0.0 111.368 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 73.5 mt -54.81 -63.72 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 125.862 1.665 . . . . 0.0 110.332 176.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -59.44 -36.12 75.32 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -66.41 -51.29 58.48 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 118.987 0.812 . . . . 0.0 110.778 175.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 28.5 t -57.12 -36.87 71.19 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.341 0.656 . . . . 0.0 111.373 176.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 42.3 mt -59.51 -30.11 43.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 121.032 -1.043 . . . . 0.0 112.426 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -62.84 -47.63 82.56 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 120.455 1.48 . . . . 0.0 109.947 174.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 22.0 m -58.81 -41.19 86.21 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.343 1.457 . . . . 0.0 111.243 174.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 5.3 tt -59.42 -52.58 65.01 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.223 1.809 . . . . 0.0 110.45 177.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 83.9 t -56.74 -49.61 77.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.948 0.899 . . . . 0.0 110.416 176.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 22.3 t60 -52.01 -56.87 11.62 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.918 0.781 . . . . 0.0 110.724 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -55.96 -30.15 61.28 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 89.5 m -78.51 -14.13 59.5 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 177.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -119.46 -11.37 9.5 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.603 1.335 . . . . 0.0 114.603 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 8.2 t -59.49 123.73 17.78 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.67 1.588 . . . . 0.0 112.601 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -76.85 -5.87 50.12 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.718 2.007 . . . . 0.0 115.794 -177.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 37.8 t30 -135.9 112.72 10.21 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.031 1.332 . . . . 0.0 112.457 -177.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -58.69 -16.31 15.82 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.69 1.366 . . . . 0.0 114.69 178.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -92.52 0.23 57.41 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.989 1.716 . . . . 0.0 114.432 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 49.1 t -44.93 110.72 0.25 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.906 2.082 . . . . 0.0 112.904 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 99.3 p -72.38 -0.96 13.79 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 -175.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 19.2 tp -61.36 124.43 80.7 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 125.257 1.423 . . . . 0.0 110.467 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -47.55 -42.24 29.25 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 123.498 2.798 . . . . 0.0 114.287 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 33.7 m -58.0 -53.06 62.45 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.574 1.55 . . . . 0.0 112.005 176.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 4.3 t -63.09 -51.52 66.26 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.16 1.784 . . . . 0.0 110.578 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -48.27 -56.33 8.29 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.193 1.797 . . . . 0.0 112.179 176.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1798 ' ' LYS . . . . . 0.424 ' HZ1' ' HB2' ' B' ' 59' ' ' GLU . 82.3 mttt -60.2 -44.03 95.45 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.213 1.005 . . . . 0.0 111.736 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 14.6 mmt -62.25 -43.47 98.75 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 176.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -47.48 -40.76 19.16 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.368 1.067 . . . . 0.0 112.485 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -61.76 -58.88 6.3 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.179 0.992 . . . . 0.0 111.923 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 19.4 m -63.31 -39.02 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 118.728 0.695 . . . . 0.0 112.598 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 46.2 t -59.22 -49.61 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.826 1.25 . . . . 0.0 110.458 175.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -62.01 -31.68 72.08 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.927 0.891 . . . . 0.0 112.208 176.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.7 t60 -68.96 -63.63 1.02 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.611 0.764 . . . . 0.0 110.82 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 13.0 t -54.79 -31.02 58.4 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 114.673 1.361 . . . . 0.0 114.673 -176.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -77.61 -11.59 59.88 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -134.27 -1.94 3.45 Favored Glycine 0 CA--C 1.538 1.522 0 N-CA-C 117.095 1.598 . . . . 0.0 117.095 -176.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 43.4 t -55.34 136.97 48.76 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.396 1.598 . . . . 0.0 112.331 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -72.24 -11.67 60.82 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.654 1.581 . . . . 0.0 114.136 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -135.21 -32.23 0.95 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 27.6 mtpp 53.61 -168.14 0.06 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.115 1.766 . . . . 0.0 113.611 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 20.2 p -57.96 -32.27 67.69 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.728 1.211 . . . . 0.0 112.145 175.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -58.26 -42.51 86.62 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.1 1.36 . . . . 0.0 111.809 176.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -88.24 -3.44 78.88 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 125.46 1.505 . . . . 0.0 113.955 176.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 93.01 17.91 41.97 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.729 1.633 . . . . 0.0 116.71 176.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 8.1 t -58.84 116.68 16.39 Favored Pre-proline 0 CA--C 1.552 1.026 0 CA-C-N 119.758 1.779 . . . . 0.0 112.744 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -57.45 -42.81 57.51 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 123.207 2.605 . . . . 0.0 113.795 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 59.5 t -55.16 -59.02 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.842 1.257 . . . . 0.0 110.694 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 21.3 m -52.71 -48.72 66.44 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.555 1.542 . . . . 0.0 110.138 177.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1821 ' ' LYS . . . . . 0.416 ' O ' ' HE2' ' A' 1821 ' ' LYS . 0.0 OUTLIER -53.96 -46.36 71.59 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.345 1.058 . . . . 0.0 111.699 177.317 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -60.97 -42.16 97.8 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.322 0.964 . . . . 0.0 111.97 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.62 -50.01 66.61 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.561 0.619 . . . . 0.0 111.072 177.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 41.1 mm -61.18 -32.39 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 124.564 1.146 . . . . 0.0 112.0 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -57.25 -48.17 79.54 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 120.015 1.279 . . . . 0.0 111.239 175.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 6.7 mp -68.66 -39.61 80.57 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.186 0.994 . . . . 0.0 111.207 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 73.4 m -59.69 -38.05 80.5 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 118.877 0.762 . . . . 0.0 110.642 173.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 24.3 t -66.52 -50.67 62.42 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.952 1.301 . . . . 0.0 111.216 176.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 44.5 t80 -55.81 -46.36 78.07 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.258 0.623 . . . . 0.0 110.621 175.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 43.6 t60 -56.74 -63.83 1.07 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.426 1.09 . . . . 0.0 110.05 175.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -50.14 -42.15 50.2 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.762 1.625 . . . . 0.0 114.564 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -56.52 -45.68 80.97 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.509 1.924 . . . . 0.0 111.589 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -90.1 -17.79 27.06 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1834 ' ' CYS . . . . . 0.439 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 11.4 t -68.83 165.1 20.47 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.061 1.745 . . . . 0.0 112.863 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.05 -4.25 0.42 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.005 1.722 . . . . 0.0 115.109 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -74.64 120.0 19.59 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 120.825 -1.172 . . . . 0.0 111.554 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -62.16 -23.51 66.64 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -127.12 33.99 4.81 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 126.686 1.995 . . . . 0.0 113.305 -177.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 10.4 t -49.71 134.35 19.93 Favored Pre-proline 0 CA--C 1.559 1.315 0 C-N-CA 126.135 1.774 . . . . 0.0 112.541 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -65.86 -22.34 56.44 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 123.625 2.883 . . . . 0.0 115.62 -176.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 82.0 t -66.85 115.53 25.9 Favored Pre-proline 0 N--CA 1.477 0.875 0 C-N-CA 124.534 1.133 . . . . 0.0 109.566 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -51.42 -46.42 31.62 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.747 2.965 . . . . 0.0 115.289 -177.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -76.12 -28.51 57.49 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 114.633 1.345 . . . . 0.0 114.633 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 42.4 t -45.84 -67.77 0.25 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.87 1.668 . . . . 0.0 112.3 -177.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 59.6 mt -54.39 -35.59 63.01 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.337 1.455 . . . . 0.0 113.489 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -64.56 -51.12 64.42 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.683 0.674 . . . . 0.0 110.004 175.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 10.0 mm -56.87 -45.82 83.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.754 176.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1848 ' ' LYS . . . . . 0.439 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 67.9 mttt -53.14 -45.46 68.41 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 120.164 1.347 . . . . 0.0 111.657 176.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 56.5 t60 -61.96 -49.87 74.39 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.281 0.633 . . . . 0.0 110.8 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -54.96 -41.23 70.87 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.084 1.354 . . . . 0.0 111.661 176.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.7 mp -63.94 -43.1 96.89 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.659 1.584 . . . . 0.0 111.606 175.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -28.97 67.71 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.528 1.131 . . . . 0.0 113.184 176.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -64.14 -19.59 65.39 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.505 1.048 . . . . 0.0 112.705 176.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -72.19 -15.3 61.95 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.997 1.319 . . . . 0.0 112.698 175.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 11.9 pt20 . . . . . 0 C--O 1.239 0.505 0 C-N-CA 126.919 2.088 . . . . 0.0 111.552 -177.276 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 40.4 m . . . . . 0 CA--C 1.54 0.572 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -144.84 161.05 40.25 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.344 1.858 . . . . 0.0 111.315 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 95.9 mmm -66.34 144.77 56.36 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.492 1.117 . . . . 0.0 110.932 176.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.58 138.37 95.54 Favored Pre-proline 0 CA--C 1.552 1.041 0 C-N-CA 123.737 0.815 . . . . 0.0 112.152 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -72.2 -66.72 0.03 OUTLIER 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 123.495 2.797 . . . . 0.0 112.783 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -162.31 176.14 10.87 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 127.793 2.437 . . . . 0.0 110.608 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -145.9 121.19 5.61 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 125.586 1.555 . . . . 0.0 109.392 177.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -50.6 -30.62 28.93 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 123.539 2.826 . . . . 0.0 115.966 -178.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -77.26 -16.45 59.0 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.549 1.14 . . . . 0.0 113.626 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.424 ' HB2' ' HZ1' ' A' 1798 ' ' LYS . 6.4 pt-20 -59.31 -32.74 70.34 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -175.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -62.0 -33.07 73.65 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.565 1.146 . . . . 0.0 111.659 178.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.69 -22.82 53.41 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.269 1.028 . . . . 0.0 112.421 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 12.2 t -80.64 -48.65 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 123.891 0.876 . . . . 0.0 109.754 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 65.6 m -49.74 -45.37 49.28 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.18 1.792 . . . . 0.0 114.619 -178.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -64.87 -23.64 67.29 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 10.2 mt -90.14 -55.65 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 126.266 1.826 . . . . 0.0 110.617 176.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -151.09 101.15 3.01 Favored Pre-proline 0 CA--C 1.549 0.916 0 C-N-CA 127.983 2.513 . . . . 0.0 111.392 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -74.52 174.03 13.3 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 122.811 2.34 . . . . 0.0 111.665 177.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -73.32 -18.75 61.16 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 120.923 -1.111 . . . . 0.0 113.154 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 26.9 p -74.57 -51.56 14.27 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.412 1.885 . . . . 0.0 113.876 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 29.0 m -138.71 154.71 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.668 1.587 . . . . 0.0 112.399 -178.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 67.8 mtp -83.08 66.59 8.75 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.492 -0.755 . . . . 0.0 111.257 176.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 32.5 tp -52.16 -22.08 3.92 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.493 1.917 . . . . 0.0 113.363 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.82 -23.27 17.48 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.049 1.34 . . . . 0.0 113.133 174.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 4.6 p -67.92 -17.46 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.481 1.112 . . . . 0.0 112.911 176.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -126.69 -16.96 5.12 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.326 1.45 . . . . 0.0 114.426 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -71.48 160.03 33.45 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.971 1.308 . . . . 0.0 112.413 177.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -144.97 87.14 0.17 Allowed Glycine 0 CA--C 1.534 1.242 0 C-N-CA 125.692 1.615 . . . . 0.0 112.14 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 85.4 mt -60.81 125.68 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.895 1.678 . . . . 0.0 111.293 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -81.35 65.8 6.63 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.123 1.369 . . . . 0.0 111.913 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 64.6 tp -51.68 -25.48 7.31 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.283 1.833 . . . . 0.0 114.043 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 42.9 mt -56.79 -17.4 9.04 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 127.419 2.287 . . . . 0.0 113.897 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.6 t -67.55 -6.11 18.42 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.893 2.077 . . . . 0.0 115.34 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -60.57 159.55 23.93 Favored Pre-proline 0 CA--C 1.557 1.221 0 C-N-CA 125.198 1.399 . . . . 0.0 112.916 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -71.25 159.47 51.82 Favored 'Trans proline' 0 CA--C 1.546 1.094 0 C-N-CA 122.968 2.445 . . . . 0.0 113.144 -177.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -66.61 -26.98 45.97 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 123.015 2.476 . . . . 0.0 113.996 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -153.15 145.92 17.48 Favored Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 125.365 1.466 . . . . 0.0 111.407 177.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -79.86 -11.89 13.65 Favored 'Trans proline' 0 CA--C 1.546 1.088 0 C-N-CA 123.689 2.926 . . . . 0.0 113.916 178.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -74.64 88.69 0.74 Allowed Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.956 1.741 . . . . 0.0 114.624 -177.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 38.5 t -140.2 125.42 11.36 Favored Pre-proline 0 CA--C 1.541 0.626 0 C-N-CA 125.605 1.562 . . . . 0.0 111.076 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -76.25 -12.66 19.09 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 123.3 2.667 . . . . 0.0 113.562 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 . . . . . 0 C--O 1.239 0.522 0 C-N-CA 125.22 1.408 . . . . 0.0 111.765 -179.197 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 68.6 m . . . . . 0 CA--C 1.542 0.647 0 CA-C-O 119.173 -0.441 . . . . 0.0 111.991 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -62.19 -42.75 27.22 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.594 2.196 . . . . 0.0 112.399 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -60.53 -35.56 76.29 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.78 -0.575 . . . . 0.0 111.836 177.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -65.62 -50.76 63.87 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.417 0.687 . . . . 0.0 110.38 175.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 56.3 m -55.82 -40.56 72.94 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.561 0.744 . . . . 0.0 111.885 176.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -65.32 -45.09 85.68 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.289 1.436 . . . . 0.0 111.174 176.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -60.69 -42.3 96.87 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.424 1.49 . . . . 0.0 111.241 176.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.75 -42.72 94.94 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.364 1.466 . . . . 0.0 110.631 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 73.8 m -59.17 -52.75 64.37 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.659 0.663 . . . . 0.0 110.433 176.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 40.8 mt -52.31 -58.43 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 125.232 1.413 . . . . 0.0 111.289 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -62.23 -40.41 96.04 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -178.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 84.5 mmt-85 -58.75 -45.52 89.55 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 119.831 1.196 . . . . 0.0 111.215 176.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 62.1 m -62.9 -33.15 74.7 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.685 -0.635 . . . . 0.0 111.383 175.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 54.6 mt -69.89 -35.4 64.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.325 1.05 . . . . 0.0 111.82 175.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -59.42 -44.94 92.78 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.461 1.482 . . . . 0.0 109.553 172.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 31.3 t -60.33 -44.85 95.11 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.048 0.939 . . . . 0.0 111.428 174.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 58.1 tp -55.27 -53.43 56.24 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.187 1.395 . . . . 0.0 111.105 177.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 86.4 t -56.08 -51.14 65.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.694 178.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 32.1 t60 -52.43 -57.75 8.88 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.85 0.75 . . . . 0.0 110.929 177.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -56.3 -31.08 63.34 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 87.1 m -77.33 -13.39 59.94 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 177.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -119.34 -14.5 9.2 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 9.2 t -61.76 114.68 3.45 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.856 1.662 . . . . 0.0 112.056 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -70.79 -6.27 36.47 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.75 2.02 . . . . 0.0 116.094 -177.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 32.4 t30 -136.12 111.96 9.5 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.476 1.111 . . . . 0.0 112.402 -177.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.35 -15.56 17.16 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 177.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -92.15 6.97 44.58 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.307 1.843 . . . . 0.0 113.681 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 52.9 t -45.2 129.52 7.88 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.868 2.067 . . . . 0.0 112.147 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 15.7 m -68.41 -8.65 42.35 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 116.213 1.931 . . . . 0.0 116.213 -174.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 13.3 tp -74.53 128.04 86.4 Favored Pre-proline 0 CA--C 1.549 0.92 0 CA-C-N 120.132 1.333 . . . . 0.0 112.035 -177.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -54.24 -43.83 54.98 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.702 2.268 . . . . 0.0 113.023 177.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 16.1 m -61.63 -48.54 80.42 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.065 1.346 . . . . 0.0 112.021 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 34.7 t -56.73 -54.23 48.67 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.154 1.382 . . . . 0.0 109.765 177.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -50.83 -55.09 18.56 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.243 1.417 . . . . 0.0 111.988 176.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -56.38 -49.7 73.69 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.698 1.199 . . . . 0.0 112.15 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 49.3 tpp -61.28 -43.94 98.05 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.669 1.188 . . . . 0.0 112.64 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -50.77 -44.53 58.73 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.442 1.497 . . . . 0.0 113.032 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.58 -47.42 79.58 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.673 0.789 . . . . 0.0 111.732 177.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 1.8 t -69.0 -41.26 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 123.704 0.802 . . . . 0.0 111.676 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 40.8 t -57.01 -47.52 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.795 0.838 . . . . 0.0 109.429 174.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -67.4 -27.87 67.44 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.454 0.702 . . . . 0.0 112.811 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.8 t60 -65.51 -64.69 0.8 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.035 0.834 . . . . 0.0 109.028 173.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 12.2 t -56.75 -31.78 64.92 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -178.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -60.46 -27.2 67.35 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.036 1.734 . . . . 0.0 113.883 176.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -130.53 -1.95 5.03 Favored Glycine 0 CA--C 1.538 1.525 0 N-CA-C 117.453 1.741 . . . . 0.0 117.453 -177.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 49.9 t -55.45 128.14 32.93 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.633 1.716 . . . . 0.0 113.263 -178.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 23.2 tptm -71.87 -16.55 62.14 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.151 1.78 . . . . 0.0 112.708 178.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 58.2 ttm-85 -108.69 -57.26 2.16 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.994 1.718 . . . . 0.0 112.92 -178.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1812 ' ' LYS . . . . . . . . . . . . 0.28 19.0 ptmt 49.07 -170.47 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 128.199 2.6 . . . . 0.0 114.777 -175.185 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 10.4 p -53.62 -39.63 65.08 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.956 1.302 . . . . 0.0 112.622 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 30.0 t30 -54.82 -34.34 62.67 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.592 1.557 . . . . 0.0 112.99 176.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -104.19 6.65 46.88 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 126.139 1.828 . . . . 0.0 114.296 178.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 84.54 16.03 67.13 Favored Glycine 0 CA--C 1.538 1.47 0 N-CA-C 116.866 1.506 . . . . 0.0 116.866 178.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 18.3 t -59.32 114.93 10.45 Favored Pre-proline 0 CA--C 1.555 1.154 0 CA-C-N 119.726 1.763 . . . . 0.0 112.128 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -58.81 -43.7 41.87 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.106 2.538 . . . . 0.0 113.867 -179.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 52.9 t -54.85 -57.24 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 124.515 1.126 . . . . 0.0 111.404 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 41.7 m -54.87 -48.79 72.51 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.322 1.449 . . . . 0.0 111.142 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.09 -50.21 71.66 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.091 1.356 . . . . 0.0 110.897 176.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -56.8 -44.85 82.33 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.28 1.032 . . . . 0.0 111.575 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.5 -53.07 61.23 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.156 0.889 . . . . 0.0 110.367 176.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 39.6 mt -58.09 -29.34 36.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 126.106 1.763 . . . . 0.0 113.105 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -55.35 -46.75 76.42 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 120.041 1.291 . . . . 0.0 111.791 176.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.53 -38.41 80.84 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.779 1.232 . . . . 0.0 110.804 176.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 68.0 m -59.71 -41.85 91.73 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.865 0.757 . . . . 0.0 111.016 174.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 94.6 m -63.12 -49.82 72.91 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.313 1.045 . . . . 0.0 111.363 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 40.1 t80 -58.96 -45.5 90.34 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.949 0.499 . . . . 0.0 111.12 176.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 39.5 t60 -56.34 -60.54 3.37 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.319 1.048 . . . . 0.0 110.535 176.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -52.21 -38.69 58.7 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.459 1.504 . . . . 0.0 114.677 -178.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -56.98 -44.32 82.55 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.43 1.492 . . . . 0.0 111.36 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -90.09 -20.32 23.3 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1834 ' ' CYS . . . . . 0.471 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 11.4 t -67.55 165.02 17.73 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.516 1.526 . . . . 0.0 113.319 -179.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -149.79 -5.2 0.36 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.119 1.768 . . . . 0.0 115.308 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -75.69 111.17 10.75 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 120.739 -1.225 . . . . 0.0 111.42 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -59.09 -11.35 3.51 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -134.04 28.64 3.8 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 127.168 2.187 . . . . 0.0 112.963 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 12.8 t -47.94 135.51 11.22 Favored Pre-proline 0 CA--C 1.559 1.313 0 C-N-CA 126.612 1.965 . . . . 0.0 113.109 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -65.59 -23.44 57.04 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 123.729 2.953 . . . . 0.0 115.651 -176.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 74.5 t -64.99 116.18 27.58 Favored Pre-proline 0 N--CA 1.476 0.87 0 C-N-CA 124.65 1.18 . . . . 0.0 109.954 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -48.48 -50.33 12.53 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 124.34 3.36 . . . . 0.0 116.164 -176.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -77.91 -24.65 48.27 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 47.1 t -43.33 -68.33 0.2 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.117 1.767 . . . . 0.0 113.168 -176.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 55.3 mt -54.39 -35.62 63.05 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.376 1.47 . . . . 0.0 113.816 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 49.2 t30 -64.25 -49.25 72.63 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.999 0.919 . . . . 0.0 110.126 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 15.0 mm -58.93 -48.66 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 O-C-N 121.751 -0.593 . . . . 0.0 110.582 175.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1848 ' ' LYS . . . . . 0.471 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 70.0 mttt -51.2 -47.79 62.17 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.201 0.909 . . . . 0.0 111.037 177.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 61.2 t60 -56.07 -51.87 66.3 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.507 0.723 . . . . 0.0 110.436 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -55.47 -43.74 75.78 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 118.811 0.732 . . . . 0.0 111.762 176.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 6.2 mp -60.67 -37.15 80.61 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.262 1.425 . . . . 0.0 112.229 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 42.8 mmt-85 -76.85 -30.09 56.16 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 119.486 1.039 . . . . 0.0 113.043 175.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -62.22 -21.49 65.18 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.115 0.966 . . . . 0.0 112.816 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -60.27 -24.89 65.29 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.83 1.652 . . . . 0.0 113.16 177.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 . . . . . 0 N--CA 1.472 0.674 0 C-N-CA 127.403 2.281 . . . . 0.0 113.85 177.753 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 78.2 p . . . . . 0 CA--C 1.542 0.643 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -142.94 159.13 42.83 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.233 1.813 . . . . 0.0 111.527 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 28.3 ptm -74.6 -1.34 21.16 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 116.901 2.186 . . . . 0.0 116.901 -178.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -153.54 151.46 25.41 Favored Pre-proline 0 CA--C 1.548 0.904 0 C-N-CA 125.979 1.712 . . . . 0.0 111.615 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -79.48 -112.92 0.01 OUTLIER 'Trans proline' 0 CA--C 1.549 1.232 0 C-N-CA 123.997 3.132 . . . . 0.0 109.645 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -152.18 167.7 27.69 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.13 1.372 . . . . 0.0 112.058 176.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -156.38 136.56 8.69 Favored Pre-proline 0 CA--C 1.544 0.732 0 C-N-CA 126.209 1.803 . . . . 0.0 110.475 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -64.43 -20.32 66.07 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 122.414 2.076 . . . . 0.0 114.912 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -79.59 -23.12 42.94 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.146 0.884 . . . . 0.0 113.129 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -60.74 -29.36 69.33 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -177.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.69 -45.72 92.8 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.335 1.054 . . . . 0.0 111.306 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.48 -45.75 68.25 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.598 0.759 . . . . 0.0 111.103 176.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 63.3 t -59.26 -40.94 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.67 0.788 . . . . 0.0 111.954 177.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 20.2 t -49.47 -48.78 47.49 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.157 1.783 . . . . 0.0 114.537 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -64.92 -19.6 66.02 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 12.1 mt -90.03 -57.76 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.482 1.513 . . . . 0.0 109.801 175.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.8 p90 -150.24 101.11 3.17 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 127.673 2.389 . . . . 0.0 111.842 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -77.37 173.78 13.76 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 122.656 2.237 . . . . 0.0 110.75 176.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -67.76 -24.82 65.39 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.497 -1.377 . . . . 0.0 113.413 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 23.0 m -69.92 -45.54 67.31 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 -177.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 27.1 m -146.39 159.93 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 125.063 1.345 . . . . 0.0 113.316 -176.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 57.7 tpp -80.18 63.29 4.63 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.627 1.171 . . . . 0.0 110.335 174.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 41.3 tp -53.04 -25.85 13.81 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.753 1.621 . . . . 0.0 113.649 -177.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.76 -22.54 24.69 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.274 1.429 . . . . 0.0 113.802 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.6 p -70.15 -19.4 22.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.621 1.168 . . . . 0.0 112.742 177.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -131.11 -4.27 3.92 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -176.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -129.24 141.26 51.18 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.292 1.437 . . . . 0.0 111.896 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -97.12 -179.63 34.16 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.624 1.583 . . . . 0.0 114.08 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 75.6 mt -117.43 149.13 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.41 1.484 . . . . 0.0 111.22 -178.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -61.45 0.65 0.28 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 128.823 2.849 . . . . 0.0 116.803 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 35.1 tp -55.39 -17.9 5.8 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.491 1.916 . . . . 0.0 114.365 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.12 -36.38 63.2 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.964 1.705 . . . . 0.0 114.349 -177.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.0 t -82.26 -1.26 48.84 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.917 1.287 . . . . 0.0 113.955 -177.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -108.25 157.91 35.12 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 126.584 1.953 . . . . 0.0 111.489 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -64.96 115.31 3.2 Favored 'Trans proline' 0 CA--C 1.548 1.179 0 C-N-CA 123.397 2.731 . . . . 0.0 112.13 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -80.09 173.82 12.2 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 123.49 2.794 . . . . 0.0 112.298 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -144.27 143.77 23.39 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 125.258 1.423 . . . . 0.0 110.961 176.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.12 -4.59 14.48 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 C-N-CA 123.859 3.039 . . . . 0.0 114.018 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -74.82 58.11 2.61 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 126.212 1.863 . . . . 0.0 116.098 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 62.6 m -65.08 152.36 91.54 Favored Pre-proline 0 N--CA 1.473 0.679 0 C-N-CA 125.019 1.327 . . . . 0.0 111.115 176.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.15 -20.68 18.77 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 122.096 1.864 . . . . 0.0 115.098 -176.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 N--CA 1.473 0.714 0 C-N-CA 125.184 1.393 . . . . 0.0 113.71 179.804 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 54.5 m . . . . . 0 CA--C 1.54 0.588 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -63.44 -31.08 72.4 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.618 2.212 . . . . 0.0 112.73 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -58.63 -36.76 74.58 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.834 0.854 . . . . 0.0 111.418 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.2 -51.98 57.61 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.745 0.818 . . . . 0.0 110.408 176.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 50.1 m -55.19 -43.16 74.11 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.012 0.925 . . . . 0.0 111.871 177.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -62.25 -53.07 60.41 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.361 1.464 . . . . 0.0 110.722 175.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 74.9 ttt-85 -54.73 -43.68 72.86 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.064 1.745 . . . . 0.0 112.059 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.9 mp -67.17 -46.49 73.81 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.79 1.236 . . . . 0.0 111.113 177.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 68.5 m -58.2 -46.55 85.62 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.827 0.74 . . . . 0.0 111.246 178.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 55.3 mt -55.67 -63.43 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 126.122 1.769 . . . . 0.0 110.545 177.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -61.3 -36.26 79.62 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -177.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -62.81 -53.4 54.82 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.061 0.944 . . . . 0.0 110.517 176.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 18.3 t -58.81 -33.81 70.8 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.227 0.611 . . . . 0.0 112.162 177.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 41.4 mt -64.45 -28.62 45.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 O-C-N 121.168 -0.957 . . . . 0.0 112.086 176.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -63.05 -46.37 87.8 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 120.353 1.433 . . . . 0.0 109.638 174.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 4.3 m -59.51 -40.8 88.26 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.944 1.698 . . . . 0.0 111.327 175.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 63.8 tp -59.28 -54.97 40.72 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.314 1.446 . . . . 0.0 110.529 176.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 94.8 t -55.03 -50.17 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 CA-C-O 118.566 -0.73 . . . . 0.0 110.429 177.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 33.9 t60 -53.32 -58.67 6.28 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.479 0.712 . . . . 0.0 111.285 177.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -56.33 -28.7 59.81 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 96.5 m -78.73 -13.0 60.05 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 177.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -119.99 -12.77 9.09 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.087 1.355 . . . . 0.0 114.29 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 11.6 t -65.04 122.36 16.85 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.628 1.571 . . . . 0.0 111.619 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -74.9 -8.97 58.04 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.329 1.852 . . . . 0.0 115.387 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 31.8 t30 -136.76 113.47 10.26 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.877 1.217 . . . . 0.0 113.131 -176.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.49 -15.41 17.54 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -93.0 8.6 39.21 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 126.44 1.896 . . . . 0.0 113.61 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 51.6 t -45.08 135.75 5.3 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 127.462 2.305 . . . . 0.0 112.686 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 84.7 p -74.24 -10.92 60.08 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -176.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 26.3 tp -72.38 120.77 82.33 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 124.575 1.15 . . . . 0.0 112.012 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.67 -39.7 75.48 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.898 2.399 . . . . 0.0 113.348 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 15.0 m -58.09 -47.6 82.7 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.272 1.429 . . . . 0.0 112.061 178.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 20.9 t -61.37 -54.17 47.17 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.161 1.784 . . . . 0.0 109.5 176.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -50.32 -55.09 17.04 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.498 1.519 . . . . 0.0 112.547 177.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 89.4 mttt -57.94 -49.46 76.69 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.915 0.886 . . . . 0.0 111.862 177.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 44.8 tpp -59.67 -38.37 81.29 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.97 0.908 . . . . 0.0 113.0 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -53.45 -31.11 43.98 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 118.035 -0.983 . . . . 0.0 113.441 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -59.21 -61.81 2.36 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.903 1.229 . . . . 0.0 111.676 177.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 26.7 m -63.83 -33.81 64.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 46.4 t -62.2 -48.65 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.957 0.903 . . . . 0.0 109.932 175.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 66.8 mm-40 -62.78 -30.05 71.17 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.686 1.194 . . . . 0.0 112.252 175.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 11.6 t60 -69.3 -66.05 0.63 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.57 0.748 . . . . 0.0 110.411 175.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 5.1 t -55.36 -33.74 63.68 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -174.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -70.54 -14.26 62.43 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 177.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -128.96 -8.65 3.68 Favored Glycine 0 CA--C 1.538 1.505 0 N-CA-C 116.499 1.36 . . . . 0.0 116.499 -178.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 40.6 t -57.57 138.71 54.95 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.516 1.526 . . . . 0.0 112.754 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -90.57 -6.73 54.32 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.025 1.73 . . . . 0.0 112.915 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -107.5 -53.9 2.56 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.64 1.576 . . . . 0.0 112.566 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 14.7 mmmm 58.14 179.92 0.06 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.719 2.008 . . . . 0.0 113.385 -178.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 19.6 p -59.63 -29.97 68.39 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 120.627 -1.295 . . . . 0.0 112.159 175.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -58.59 -39.24 79.83 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.063 1.345 . . . . 0.0 111.891 175.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -90.94 -5.24 68.38 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 125.267 1.413 . . . . 0.0 113.733 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 93.3 16.09 48.28 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 125.721 1.629 . . . . 0.0 115.756 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 14.0 t -55.5 113.84 6.28 Favored Pre-proline 0 CA--C 1.553 1.085 0 CA-C-N 119.246 1.523 . . . . 0.0 112.518 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -56.24 -44.54 45.56 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 123.235 2.623 . . . . 0.0 113.891 -178.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 58.8 t -55.56 -58.69 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.368 1.067 . . . . 0.0 111.133 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 39.4 m -53.66 -46.1 70.49 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.013 1.325 . . . . 0.0 110.557 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1821 ' ' LYS . . . . . 0.422 ' O ' ' HE2' ' A' 1821 ' ' LYS . 0.0 OUTLIER -54.61 -45.36 73.66 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.458 1.103 . . . . 0.0 111.675 177.131 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -60.4 -38.72 84.86 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.122 0.874 . . . . 0.0 111.967 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 4.4 mt -66.42 -51.45 56.84 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.862 -0.524 . . . . 0.0 110.721 174.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 23.1 mm -56.32 -37.03 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 123.71 0.804 . . . . 0.0 111.919 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -55.32 -51.63 66.12 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.414 1.006 . . . . 0.0 111.591 176.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 4.1 mp -69.51 -39.17 77.74 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.496 1.118 . . . . 0.0 111.854 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 73.4 m -59.51 -39.79 85.01 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.99 0.814 . . . . 0.0 110.603 174.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 35.1 t -65.74 -50.12 65.94 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.737 1.215 . . . . 0.0 111.123 176.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 37.1 t80 -57.38 -40.61 78.56 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.5 0.591 . . . . 0.0 111.398 176.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 54.2 t60 -61.63 -58.55 7.64 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.973 0.909 . . . . 0.0 110.097 174.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -54.42 -28.58 44.91 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.655 1.582 . . . . 0.0 114.618 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -56.97 -47.46 80.72 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.809 1.644 . . . . 0.0 110.932 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 51.5 m80 -90.11 -29.47 18.3 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.93 2.092 . . . . 0.0 114.34 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1834 ' ' CYS . . . . . 0.464 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 8.1 t -66.54 153.74 42.19 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.189 1.396 . . . . 0.0 113.632 -177.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.82 -2.97 0.8 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.565 1.946 . . . . 0.0 114.775 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -71.57 107.08 4.27 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.316 1.446 . . . . 0.0 111.302 178.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -53.68 -16.2 1.54 Allowed 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 116.811 2.152 . . . . 0.0 116.811 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 47.9 mttp -132.21 32.92 3.92 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.677 1.991 . . . . 0.0 112.857 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 32.5 t -49.56 136.34 17.96 Favored Pre-proline 0 CA--C 1.559 1.307 0 C-N-CA 126.463 1.905 . . . . 0.0 112.211 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -64.7 -24.99 61.64 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 123.366 2.711 . . . . 0.0 115.156 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 97.1 t -65.79 122.82 82.68 Favored Pre-proline 0 N--CA 1.474 0.771 0 CA-C-N 119.332 0.969 . . . . 0.0 109.099 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -64.55 -44.84 10.2 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.829 2.353 . . . . 0.0 114.397 -175.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -72.57 -31.06 64.94 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 47.5 t -43.35 -67.02 0.31 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.529 1.931 . . . . 0.0 112.215 -178.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 63.9 mt -52.99 -36.79 60.77 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.506 1.523 . . . . 0.0 113.896 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -65.44 -48.74 71.68 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.909 0.777 . . . . 0.0 110.17 175.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 11.5 mm -58.61 -46.23 90.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-O 119.163 -0.446 . . . . 0.0 110.284 176.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1848 ' ' LYS . . . . . 0.464 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 68.9 mttt -52.3 -45.56 65.59 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.442 1.019 . . . . 0.0 111.688 176.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 24.2 t60 -58.18 -49.03 78.46 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.881 0.764 . . . . 0.0 110.848 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 7.6 mptt -60.06 -27.9 67.34 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.222 1.809 . . . . 0.0 112.802 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.9 mp -85.45 -49.33 8.18 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.384 1.874 . . . . 0.0 113.434 177.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -66.65 -24.22 66.26 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.952 0.901 . . . . 0.0 113.228 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -74.84 -8.82 57.59 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -67.76 -17.67 64.62 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.567 1.147 . . . . 0.0 113.172 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 . . . . . 0 CA--C 1.541 0.598 0 C-N-CA 126.131 1.772 . . . . 0.0 112.254 179.654 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 77.9 p . . . . . 0 CA--C 1.541 0.616 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -68.41 166.62 16.35 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.432 1.493 . . . . 0.0 113.089 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 28.5 ptm -67.32 169.48 8.79 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.883 1.273 . . . . 0.0 113.39 178.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.1 154.43 82.28 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 123.921 0.888 . . . . 0.0 113.087 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -77.42 -179.75 5.73 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 124.236 3.291 . . . . 0.0 106.868 170.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -110.02 164.14 12.89 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 124.021 0.928 . . . . 0.0 111.207 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -158.5 138.96 9.1 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 124.641 1.176 . . . . 0.0 110.845 -178.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -73.3 -17.7 23.97 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.561 2.174 . . . . 0.0 114.779 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -79.96 -33.95 39.14 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -178.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -27.31 61.54 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -177.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -64.4 -43.09 95.52 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.036 1.334 . . . . 0.0 110.971 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.62 -42.48 86.73 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.772 0.829 . . . . 0.0 110.75 175.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 13.7 t -58.09 -44.3 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.313 0.645 . . . . 0.0 110.381 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.2 t -46.89 -49.52 20.19 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.616 1.966 . . . . 0.0 114.6 -178.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -72.75 -15.36 61.66 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 17.8 mt -90.28 -54.73 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.356 1.462 . . . . 0.0 109.486 175.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -154.51 101.11 2.4 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 128.756 2.822 . . . . 0.0 111.947 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -74.45 174.17 13.02 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 122.628 2.219 . . . . 0.0 112.653 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.17 -16.59 62.24 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 -175.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 48.9 m -123.12 0.84 9.12 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 115.632 1.715 . . . . 0.0 115.632 -177.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 9.3 t -140.81 130.33 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 119.734 1.152 . . . . 0.0 111.929 -178.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 52.0 tpp -78.93 51.51 1.14 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.74 1.216 . . . . 0.0 110.292 174.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 51.1 tp -52.1 -25.7 9.38 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 127.365 2.266 . . . . 0.0 113.823 -177.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.46 -18.02 16.28 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.951 1.301 . . . . 0.0 113.527 174.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.7 p -71.3 -17.78 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.491 1.116 . . . . 0.0 112.522 176.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -127.08 -29.78 2.75 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.65 1.58 . . . . 0.0 113.88 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -75.07 147.73 40.37 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.377 1.471 . . . . 0.0 111.21 177.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.65 105.94 0.62 Allowed Glycine 0 CA--C 1.53 1.03 0 C-N-CA 125.171 1.367 . . . . 0.0 112.469 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.63 123.8 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.194 1.398 . . . . 0.0 109.738 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -69.37 31.15 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 127.038 2.135 . . . . 0.0 116.136 -176.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 49.5 tp -56.86 -15.77 5.43 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 125.811 1.644 . . . . 0.0 114.805 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.15 -32.66 71.24 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.723 2.009 . . . . 0.0 113.765 -178.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.6 t -71.63 -15.93 62.26 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.341 1.456 . . . . 0.0 114.138 -177.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -80.82 161.89 62.02 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 125.175 1.39 . . . . 0.0 112.607 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.34 144.94 69.75 Favored 'Trans proline' 0 CA--C 1.546 1.11 0 C-N-CA 123.573 2.848 . . . . 0.0 114.162 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -76.2 167.77 25.25 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 123.578 2.852 . . . . 0.0 112.275 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.02 150.44 92.54 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 124.035 0.934 . . . . 0.0 111.632 177.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -65.72 -19.44 59.45 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 123.186 2.591 . . . . 0.0 115.056 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -90.82 4.06 81.53 Favored Glycine 0 CA--C 1.538 1.51 0 C-N-CA 125.076 1.322 . . . . 0.0 114.616 178.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 49.3 m -60.76 120.47 53.5 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 124.976 1.31 . . . . 0.0 112.02 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -74.5 -15.03 22.29 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.151 2.567 . . . . 0.0 114.191 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 . . . . . 0 N--CA 1.472 0.671 0 C-N-CA 125.653 1.581 . . . . 0.0 111.891 -179.887 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 4.5 t . . . . . 0 CA--C 1.541 0.631 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -66.57 -35.34 29.87 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.81 2.34 . . . . 0.0 111.498 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -70.58 -42.19 71.38 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.676 0.79 . . . . 0.0 110.552 176.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.29 -56.46 20.27 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.539 0.735 . . . . 0.0 111.264 177.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 51.3 p -57.12 -39.45 75.16 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -63.15 -47.47 82.57 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.828 1.251 . . . . 0.0 111.458 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -65.12 -32.58 74.35 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.047 1.339 . . . . 0.0 112.128 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 3.2 mp -65.52 -31.28 72.26 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.199 1.0 . . . . 0.0 111.971 176.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 74.8 m -65.02 -43.99 90.63 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.089 -1.007 . . . . 0.0 111.088 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 84.7 mt -55.34 -60.37 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.321 1.449 . . . . 0.0 111.092 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -60.06 -32.43 70.93 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 13.7 mmp_? -64.76 -51.4 62.46 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.148 0.885 . . . . 0.0 110.229 175.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 68.0 m -59.92 -29.24 68.24 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.174 0.589 . . . . 0.0 112.47 176.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 51.2 mt -67.69 -27.64 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 O-C-N 120.998 -1.064 . . . . 0.0 111.57 176.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -63.97 -43.09 96.8 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.882 1.219 . . . . 0.0 109.224 173.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 3.2 m -59.86 -44.3 94.2 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.708 1.603 . . . . 0.0 111.052 175.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 67.2 tp -58.21 -55.9 28.95 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.23 1.412 . . . . 0.0 110.842 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 86.8 t -54.84 -51.93 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-O 118.485 -0.769 . . . . 0.0 110.515 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 31.5 t60 -52.61 -59.03 4.96 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.6 0.76 . . . . 0.0 110.955 177.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -56.45 -28.58 59.96 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 87.2 m -78.59 -14.93 59.09 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -117.39 -15.73 10.31 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.015 1.326 . . . . 0.0 114.26 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 11.7 t -59.54 119.86 8.32 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.502 1.921 . . . . 0.0 111.655 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -77.58 -5.67 51.04 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.97 1.708 . . . . 0.0 115.412 -176.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 33.0 t30 -136.68 110.3 8.04 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.791 1.236 . . . . 0.0 112.357 -177.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -56.65 -17.57 9.21 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -87.51 -1.13 57.73 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.694 1.598 . . . . 0.0 114.026 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 48.6 t -46.02 111.57 0.38 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.997 2.119 . . . . 0.0 111.858 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 89.1 p -70.21 1.0 5.27 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 116.743 2.127 . . . . 0.0 116.743 -174.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 17.4 tp -62.35 123.11 77.25 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 125.029 1.331 . . . . 0.0 109.995 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -47.71 -41.23 31.22 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.739 2.959 . . . . 0.0 115.374 -177.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 12.0 p -68.21 -48.76 64.32 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.001 1.321 . . . . 0.0 112.401 177.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 11.6 t -58.02 -52.06 67.1 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.662 1.585 . . . . 0.0 110.027 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -46.7 -58.38 3.92 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.959 1.703 . . . . 0.0 111.735 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 91.4 mttt -59.78 -50.21 74.69 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.658 1.183 . . . . 0.0 112.107 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 51.0 tpp -60.69 -39.98 90.49 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.276 1.03 . . . . 0.0 113.359 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -52.44 -42.05 63.81 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.489 1.116 . . . . 0.0 113.131 178.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -58.56 -42.21 87.39 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.615 0.766 . . . . 0.0 111.508 177.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 1.4 t -69.84 -42.44 79.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.235 1.014 . . . . 0.0 111.514 178.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 71.5 t -59.24 -44.15 91.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.104 0.962 . . . . 0.0 109.973 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -65.65 -28.6 69.22 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.493 1.117 . . . . 0.0 112.685 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.5 t60 -71.73 -64.1 1.0 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.088 0.955 . . . . 0.0 110.22 176.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 11.1 t -52.92 -36.22 59.35 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 -176.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -70.26 -13.56 62.22 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -133.39 -1.97 3.78 Favored Glycine 0 CA--C 1.536 1.385 0 N-CA-C 116.496 1.358 . . . . 0.0 116.496 -177.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 45.2 t -56.31 127.0 28.76 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.155 1.477 . . . . 0.0 112.779 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -74.25 -6.37 47.48 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.759 1.624 . . . . 0.0 113.191 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -119.32 -55.17 2.16 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.602 1.961 . . . . 0.0 111.933 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1812 ' ' LYS . . . . . 0.457 ' HG2' ' H ' ' A' 1813 ' ' THR . 21.5 tttm 54.91 -175.31 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 127.653 2.381 . . . . 0.0 113.553 -177.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1813 ' ' THR . . . . . 0.457 ' H ' ' HG2' ' A' 1812 ' ' LYS . 69.4 p -57.59 -34.73 69.56 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 120.565 -1.334 . . . . 0.0 112.601 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -59.09 -40.58 85.7 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.34 1.456 . . . . 0.0 112.304 177.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -88.28 -6.72 74.1 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 124.857 1.218 . . . . 0.0 114.057 177.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 98.04 14.63 38.76 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.535 1.54 . . . . 0.0 116.156 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 23.1 t -56.24 119.86 30.74 Favored Pre-proline 0 CA--C 1.553 1.064 0 CA-C-N 119.495 1.647 . . . . 0.0 111.268 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -67.0 -37.63 18.61 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.562 2.174 . . . . 0.0 113.282 -176.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 72.4 t -58.01 -58.74 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.066 1.347 . . . . 0.0 110.432 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 57.5 m -53.68 -47.26 70.62 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.748 1.219 . . . . 0.0 110.577 177.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.38 -42.43 77.88 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.457 -0.777 . . . . 0.0 112.791 177.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -65.79 -38.17 88.28 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.154 0.888 . . . . 0.0 111.5 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.66 -52.31 61.27 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.63 -0.668 . . . . 0.0 110.069 176.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 31.1 mm -61.39 -32.83 54.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 124.21 1.004 . . . . 0.0 112.3 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -54.67 -43.42 72.42 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 120.358 1.436 . . . . 0.0 111.925 175.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 5.8 mp -72.0 -35.88 69.59 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.264 1.026 . . . . 0.0 111.324 175.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 84.8 m -60.66 -39.87 89.95 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.954 0.797 . . . . 0.0 110.299 173.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 99.7 m -64.12 -51.63 63.02 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.532 1.133 . . . . 0.0 111.426 175.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 34.5 t80 -57.53 -41.59 81.2 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.532 0.606 . . . . 0.0 111.201 176.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 39.9 t60 -60.27 -60.64 3.49 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.077 0.951 . . . . 0.0 110.304 175.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -53.19 -34.04 55.3 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.623 1.569 . . . . 0.0 114.398 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -56.39 -47.84 78.11 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.792 1.637 . . . . 0.0 111.068 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 43.5 m80 -90.07 -20.72 22.85 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.581 1.952 . . . . 0.0 115.195 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1834 ' ' CYS . . . . . 0.414 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 8.9 t -64.77 165.03 11.14 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.953 1.301 . . . . 0.0 113.831 -177.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -147.91 -2.71 0.54 Allowed 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 -178.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -73.5 142.73 46.75 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 120.193 1.36 . . . . 0.0 112.62 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -77.08 -27.23 54.17 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 121.357 -0.84 . . . . 0.0 111.917 177.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 59.2 mtmt -136.52 50.22 2.05 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.579 1.952 . . . . 0.0 112.283 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 8.7 t -52.3 137.92 38.84 Favored Pre-proline 0 CA--C 1.556 1.176 0 C-N-CA 126.238 1.815 . . . . 0.0 111.97 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -64.87 -24.27 61.24 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 122.971 2.447 . . . . 0.0 114.33 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 92.3 t -67.48 121.51 79.27 Favored Pre-proline 0 N--CA 1.475 0.786 0 C-N-CA 124.385 1.074 . . . . 0.0 108.61 176.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -64.36 -40.12 26.36 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.809 2.339 . . . . 0.0 114.736 -174.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -77.73 -29.05 50.99 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 -178.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 50.2 t -42.6 -67.68 0.25 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.62 1.968 . . . . 0.0 112.852 -177.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 64.6 mt -52.7 -38.02 59.97 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.652 1.581 . . . . 0.0 113.738 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 51.4 t30 -64.88 -48.89 72.6 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.691 -0.631 . . . . 0.0 110.008 175.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 11.1 mm -57.06 -45.95 84.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-O 118.7 -0.667 . . . . 0.0 110.73 177.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1848 ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 69.0 mttt -52.16 -46.09 65.33 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 119.833 1.197 . . . . 0.0 111.734 176.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 44.7 t60 -61.84 -48.51 80.24 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.383 0.673 . . . . 0.0 110.948 177.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 12.3 mptt -57.0 -34.25 67.96 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.71 1.604 . . . . 0.0 112.246 176.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.2 mp -74.08 -46.43 43.06 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.479 1.911 . . . . 0.0 111.952 175.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -69.24 -27.77 65.75 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -80.57 -4.25 53.33 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -62.11 159.47 14.54 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.557 1.143 . . . . 0.0 113.094 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 6.1 pm0 . . . . . 0 C--O 1.238 0.498 0 C-N-CA 125.95 1.7 . . . . 0.0 112.416 178.641 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 43.8 m . . . . . 0 N--CA 1.471 0.588 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -76.59 66.84 2.64 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.086 1.754 . . . . 0.0 112.096 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.64 167.01 23.09 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.571 1.948 . . . . 0.0 112.151 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.09 135.42 70.17 Favored Pre-proline 0 CA--C 1.55 0.962 0 C-N-CA 124.3 1.04 . . . . 0.0 112.146 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -70.49 -59.34 0.08 OUTLIER 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.349 2.699 . . . . 0.0 112.412 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -163.1 175.87 10.62 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.843 2.457 . . . . 0.0 110.445 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -147.89 112.72 3.91 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 124.594 1.158 . . . . 0.0 110.377 176.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -48.98 -31.77 21.35 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 124.385 3.39 . . . . 0.0 117.004 -177.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -69.36 -19.83 63.84 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.52 -24.89 64.04 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -177.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.78 -42.62 97.73 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.376 1.07 . . . . 0.0 110.642 177.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.96 -47.67 35.82 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.414 1.086 . . . . 0.0 110.125 175.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 57.5 t -53.56 -38.88 35.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 O-C-N 121.297 -0.877 . . . . 0.0 111.436 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 70.9 m -56.36 -29.64 61.65 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -77.32 -22.5 51.8 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 120.428 1.467 . . . . 0.0 112.379 176.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 4.6 mt -90.16 -55.46 6.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 125.817 1.647 . . . . 0.0 110.994 177.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -143.85 88.43 7.68 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 127.561 2.344 . . . . 0.0 111.07 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -71.46 172.27 14.57 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 122.305 2.004 . . . . 0.0 111.801 177.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -64.46 -22.06 66.85 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 121.135 -0.978 . . . . 0.0 113.601 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 27.6 p -78.53 -51.95 9.21 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.153 1.781 . . . . 0.0 115.071 -178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 35.0 m -142.81 165.69 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -173.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 41.6 ttm -83.71 60.39 5.71 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.648 1.579 . . . . 0.0 109.906 173.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 44.2 tp -48.5 -30.26 5.01 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.347 2.259 . . . . 0.0 115.591 -174.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.2 -16.91 15.5 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 177.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.7 p -70.92 -17.27 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 O-C-N 121.022 -1.048 . . . . 0.0 112.148 175.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -129.68 0.79 4.93 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.551 1.941 . . . . 0.0 114.607 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -135.9 149.95 49.16 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.234 1.814 . . . . 0.0 111.384 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.15 159.45 15.71 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.505 1.05 . . . . 0.0 114.58 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 70.5 mt -98.62 134.45 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 125.956 1.702 . . . . 0.0 110.316 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -79.08 59.86 2.82 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.847 1.659 . . . . 0.0 111.523 175.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 64.9 tp -55.98 -27.24 51.88 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.92 -1.112 . . . . 0.0 110.236 172.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 tp -47.28 -22.23 0.38 Allowed 'General case' 0 CA--C 1.555 1.158 1 C-N-CA 132.507 4.323 . . . . 0.0 112.684 169.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.7 t -65.48 -11.1 40.1 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.153 1.781 . . . . 0.0 115.042 177.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -59.14 163.4 5.98 Favored Pre-proline 0 CA--C 1.557 1.229 0 C-N-CA 124.825 1.25 . . . . 0.0 113.267 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -51.93 142.48 43.03 Favored 'Trans proline' 0 CA--C 1.546 1.12 0 C-N-CA 123.644 2.896 . . . . 0.0 114.791 -178.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -74.46 -9.91 21.8 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 123.69 2.927 . . . . 0.0 114.627 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -135.43 159.48 71.48 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 126.511 1.924 . . . . 0.0 111.684 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -70.92 -13.58 31.85 Favored 'Trans proline' 0 CA--C 1.546 1.079 0 C-N-CA 123.245 2.63 . . . . 0.0 113.743 178.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -122.54 -178.67 15.65 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 127.163 2.316 . . . . 0.0 111.873 176.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 34.2 m -52.67 112.8 3.76 Favored Pre-proline 0 N--CA 1.475 0.802 0 C-N-CA 125.674 1.59 . . . . 0.0 112.285 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -75.48 -12.03 20.61 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 123.055 2.503 . . . . 0.0 114.518 -177.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 . . . . . 0 N--CA 1.472 0.66 0 C-N-CA 125.497 1.519 . . . . 0.0 111.974 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 60.6 m . . . . . 0 CA--C 1.541 0.63 0 CA-C-O 119.11 -0.471 . . . . 0.0 111.929 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -63.48 -40.1 32.84 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.819 2.346 . . . . 0.0 112.661 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -63.18 -34.96 78.77 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.464 -0.772 . . . . 0.0 111.948 176.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -68.76 -55.29 11.77 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.269 1.028 . . . . 0.0 110.794 177.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 89.8 p -57.81 -36.99 72.99 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 118.933 0.788 . . . . 0.0 112.379 178.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 44.1 ttm105 -63.44 -51.3 66.31 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.345 1.458 . . . . 0.0 111.356 175.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 75.2 ttt-85 -58.4 -41.26 84.52 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.016 1.326 . . . . 0.0 111.625 176.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.6 mp -66.41 -43.57 85.4 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.604 1.162 . . . . 0.0 110.86 176.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 67.7 m -58.02 -46.45 85.27 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.451 -0.781 . . . . 0.0 111.264 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 30.3 mt -56.67 -61.11 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 125.014 1.326 . . . . 0.0 110.766 176.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -61.52 -37.25 83.04 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -177.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 15.6 mmp_? -62.37 -49.63 74.78 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.312 0.96 . . . . 0.0 110.282 175.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 14.4 t -58.52 -36.76 74.32 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 122.015 -0.428 . . . . 0.0 111.372 175.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 53.4 mt -66.11 -30.31 49.54 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 C-N-CA 124.071 0.948 . . . . 0.0 112.532 176.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -63.36 -44.79 93.8 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 120.618 1.554 . . . . 0.0 109.599 174.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 17.1 m -59.9 -41.71 92.27 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.068 1.347 . . . . 0.0 111.065 175.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 56.9 tp -58.18 -55.1 39.38 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.482 1.513 . . . . 0.0 110.512 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 92.7 t -55.51 -52.54 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.636 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 31.0 t60 -51.81 -58.8 5.38 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 118.984 0.811 . . . . 0.0 111.204 177.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -58.42 -28.23 65.05 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 85.5 m -78.92 -14.05 59.44 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 177.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -120.04 -4.83 10.06 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.881 1.437 . . . . 0.0 114.881 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 7.3 t -62.89 112.85 2.74 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.703 1.201 . . . . 0.0 113.028 -176.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 47.2 ptt85 -71.86 -5.87 37.61 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 127.115 2.166 . . . . 0.0 115.239 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 32.7 t30 -127.77 107.54 9.97 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.545 1.538 . . . . 0.0 111.744 -178.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.49 -15.12 15.66 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 178.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 11.7 m120 -97.8 6.34 47.97 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.523 1.529 . . . . 0.0 113.72 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 46.9 t -52.62 115.12 1.63 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.889 1.676 . . . . 0.0 110.552 177.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 46.3 m -94.98 18.62 11.66 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.695 1.198 . . . . 0.0 114.154 -175.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 22.0 tp -67.29 125.78 91.56 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.387 1.475 . . . . 0.0 108.902 176.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -47.87 -43.97 28.24 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.37 2.713 . . . . 0.0 115.412 -177.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 5.2 p -63.17 -51.42 66.46 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.26 1.024 . . . . 0.0 111.921 177.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 13.3 t -55.57 -54.37 44.9 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.067 1.747 . . . . 0.0 110.106 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -50.71 -58.83 4.94 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.527 1.931 . . . . 0.0 112.319 176.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 92.7 mttt -59.02 -44.14 91.68 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.68 1.192 . . . . 0.0 112.022 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 48.4 tpp -64.67 -39.22 93.3 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.041 0.936 . . . . 0.0 112.97 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 12.8 mptt -51.99 -36.5 49.93 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.2 -0.938 . . . . 0.0 113.119 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 12.3 mpt_? -55.53 -56.6 18.41 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.194 0.998 . . . . 0.0 112.243 178.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 23.2 m -68.04 -32.49 56.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 47.2 t -61.41 -48.86 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.454 0.702 . . . . 0.0 109.78 175.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -63.73 -27.91 69.53 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.351 1.06 . . . . 0.0 112.321 176.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 13.5 t60 -71.12 -65.22 0.77 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.938 0.895 . . . . 0.0 110.684 176.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 10.0 t -54.43 -34.55 61.61 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -175.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -70.74 -12.56 61.63 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 177.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -130.92 -6.81 3.49 Favored Glycine 0 CA--C 1.538 1.512 0 N-CA-C 116.594 1.397 . . . . 0.0 116.594 -178.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 54.0 t -58.1 139.37 54.86 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.255 1.527 . . . . 0.0 112.492 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 60.3 tttm -88.45 -12.3 43.47 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.391 1.876 . . . . 0.0 112.807 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -105.61 -55.84 2.27 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.97 1.708 . . . . 0.0 112.307 -178.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 45.0 mtpt 54.16 -175.65 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.399 2.28 . . . . 0.0 113.837 -177.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 69.0 p -58.78 -30.88 67.9 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 120.669 -1.269 . . . . 0.0 112.841 179.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -59.02 -39.55 82.24 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.234 1.414 . . . . 0.0 112.007 176.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -91.65 -4.41 67.75 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 125.107 1.337 . . . . 0.0 113.817 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 93.14 16.2 48.37 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 125.497 1.522 . . . . 0.0 115.957 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 17.0 t -54.7 114.06 6.28 Favored Pre-proline 0 CA--C 1.554 1.125 0 CA-C-N 119.226 1.513 . . . . 0.0 112.303 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -56.14 -42.34 67.41 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 123.546 2.831 . . . . 0.0 113.828 -179.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 38.5 t -58.3 -59.53 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.07 1.348 . . . . 0.0 110.278 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 49.6 m -55.23 -47.49 75.27 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.076 1.35 . . . . 0.0 111.018 177.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -55.05 -44.55 74.8 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.302 -0.874 . . . . 0.0 112.94 178.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -64.4 -35.17 80.03 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.661 0.664 . . . . 0.0 112.254 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 4.6 mt -65.9 -50.8 63.17 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.536 0.607 . . . . 0.0 109.901 173.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 24.1 mm -59.35 -36.81 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 118.814 -0.612 . . . . 0.0 111.799 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -57.75 -49.33 76.94 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 119.761 1.164 . . . . 0.0 111.348 176.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.37 -42.31 88.16 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.581 1.152 . . . . 0.0 111.297 176.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 81.4 m -59.66 -40.08 86.53 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.926 0.785 . . . . 0.0 111.043 174.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 49.7 t -64.72 -51.56 61.77 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.138 1.375 . . . . 0.0 110.786 176.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 35.5 t80 -56.71 -41.49 77.53 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.627 0.649 . . . . 0.0 111.397 176.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 56.1 t60 -60.48 -59.28 5.65 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.616 0.766 . . . . 0.0 110.124 174.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -55.22 -28.93 56.59 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.663 1.585 . . . . 0.0 114.676 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -56.59 -46.38 80.85 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.702 1.601 . . . . 0.0 110.686 176.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 49.4 m80 -89.93 -30.17 18.02 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.987 2.115 . . . . 0.0 114.201 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 14.1 t -66.86 165.0 16.16 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.189 1.395 . . . . 0.0 113.303 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -155.87 -2.95 0.13 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.888 2.075 . . . . 0.0 114.768 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -69.23 114.94 7.95 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.827 -1.17 . . . . 0.0 110.968 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -15.76 35.66 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 -177.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -129.63 26.79 5.3 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.486 1.914 . . . . 0.0 113.463 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 10.5 t -47.85 133.97 11.28 Favored Pre-proline 0 CA--C 1.558 1.255 0 C-N-CA 126.422 1.889 . . . . 0.0 112.346 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.34 -24.85 64.38 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.64 2.893 . . . . 0.0 115.484 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 84.3 t -65.46 116.13 28.33 Favored Pre-proline 0 N--CA 1.477 0.875 0 C-N-CA 124.742 1.217 . . . . 0.0 109.994 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -48.54 -52.27 8.79 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 124.241 3.294 . . . . 0.0 116.016 -176.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -78.03 -23.76 48.1 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 114.657 1.355 . . . . 0.0 114.657 -177.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 44.0 t -46.19 -64.74 0.68 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.268 1.427 . . . . 0.0 112.005 -178.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 56.6 mt -53.49 -39.08 64.28 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.882 1.273 . . . . 0.0 114.019 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -62.37 -49.73 74.39 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.434 0.561 . . . . 0.0 109.834 176.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 7.4 mm -59.25 -48.59 86.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-O 119.025 -0.512 . . . . 0.0 110.234 176.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -52.94 -43.93 66.69 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 119.634 1.106 . . . . 0.0 112.082 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 64.0 t60 -62.11 -53.19 58.94 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.282 0.633 . . . . 0.0 110.573 176.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 8.7 mptt -51.05 -43.61 60.97 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.236 1.414 . . . . 0.0 111.212 176.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 3.7 mp -58.4 -30.69 67.04 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.141 1.776 . . . . 0.0 114.671 177.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -93.8 -24.63 17.71 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 119.311 0.96 . . . . 0.0 111.829 176.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -73.74 -40.23 63.67 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.667 1.587 . . . . 0.0 111.823 178.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -68.95 164.11 22.97 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.186 1.394 . . . . 0.0 113.557 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 23.8 mm100 . . . . . 0 N--CA 1.47 0.544 0 C-N-CA 125.024 1.33 . . . . 0.0 111.57 178.353 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 41.4 m . . . . . 0 N--CA 1.471 0.613 0 N-CA-C 114.042 1.126 . . . . 0.0 114.042 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 -143.61 165.01 28.8 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 126.252 1.821 . . . . 0.0 111.531 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 25.6 ptp -150.4 172.09 15.97 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.359 1.463 . . . . 0.0 112.667 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.52 154.06 91.84 Favored Pre-proline 0 CA--C 1.554 1.098 0 C-N-CA 124.169 0.988 . . . . 0.0 112.044 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -67.7 -65.47 0.04 OUTLIER 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 123.401 2.734 . . . . 0.0 112.808 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -162.4 172.89 14.86 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.82 2.048 . . . . 0.0 111.157 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -147.28 118.89 4.63 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 125.793 1.637 . . . . 0.0 109.265 175.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -48.19 -30.62 15.04 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 124.181 3.254 . . . . 0.0 116.642 -177.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -77.38 -17.89 57.8 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -57.95 -33.42 68.83 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -174.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.74 -44.7 89.28 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.313 1.045 . . . . 0.0 111.223 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.87 -26.16 64.99 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.253 1.021 . . . . 0.0 113.331 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 65.3 t -79.41 -48.97 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.542 1.137 . . . . 0.0 110.109 176.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 48.9 m -49.31 -42.38 41.26 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.048 1.739 . . . . 0.0 114.815 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 -64.74 -26.3 68.3 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 8.4 mt -90.01 -55.95 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 126.475 1.91 . . . . 0.0 109.425 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -153.45 102.33 2.57 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 127.545 2.338 . . . . 0.0 113.343 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -78.43 175.27 11.27 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 123.284 2.656 . . . . 0.0 111.347 176.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -77.99 -16.85 57.78 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 120.92 -1.112 . . . . 0.0 113.567 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 23.9 p -77.58 -50.22 13.01 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.23 1.812 . . . . 0.0 114.187 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 35.9 m -139.79 159.02 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.818 1.647 . . . . 0.0 112.921 -177.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 89.7 mmm -80.23 56.57 2.5 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.767 1.227 . . . . 0.0 111.414 176.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 tt -49.67 -31.42 10.97 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.4 1.88 . . . . 0.0 113.003 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.06 -29.22 28.85 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 175.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 1.8 p -62.92 -17.91 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 119.619 1.1 . . . . 0.0 113.814 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -127.06 14.95 7.35 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.867 2.067 . . . . 0.0 113.079 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -131.06 174.99 9.46 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.577 1.951 . . . . 0.0 111.81 -177.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.24 165.75 32.91 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.001 1.286 . . . . 0.0 113.306 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 62.9 mt -122.47 118.05 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 126.076 1.751 . . . . 0.0 108.919 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -74.9 65.57 1.42 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.001 1.32 . . . . 0.0 113.26 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 51.4 tp -74.81 -13.93 60.63 Favored 'General case' 0 CA--C 1.551 1.001 0 O-C-N 120.517 -1.364 . . . . 0.0 112.615 176.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.421 HD11 ' H ' ' B' ' 81' ' ' LEU . 1.0 OUTLIER -68.02 -30.36 69.57 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.936 2.095 . . . . 0.0 114.465 -176.478 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.8 t -76.73 -10.64 59.52 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.141 1.376 . . . . 0.0 114.515 -177.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -74.73 163.37 68.68 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 125.122 1.369 . . . . 0.0 112.853 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.62 152.53 27.09 Favored 'Trans proline' 0 CA--C 1.547 1.157 0 C-N-CA 123.592 2.862 . . . . 0.0 113.155 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . 0.252 0.2 OUTLIER -31.6 101.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.733 1 C-N-CA 126.663 4.909 . . . . 0.0 117.722 -178.61 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.69 157.77 85.12 Favored Pre-proline 0 CA--C 1.55 0.971 0 C-N-CA 129.355 3.062 . . . . 0.0 113.534 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -73.06 -10.56 24.65 Favored 'Trans proline' 0 CA--C 1.546 1.083 0 C-N-CA 123.612 2.875 . . . . 0.0 113.803 178.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -168.75 171.12 42.7 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 127.785 2.612 . . . . 0.0 110.551 178.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 34.1 m -56.66 107.71 0.98 Allowed Pre-proline 0 N--CA 1.475 0.824 0 C-N-CA 126.066 1.746 . . . . 0.0 112.612 -178.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.72 -32.52 94.89 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 123.447 2.764 . . . . 0.0 114.997 -178.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 N--CA 1.47 0.573 0 C-N-CA 125.385 1.474 . . . . 0.0 112.302 179.08 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 CA--C 1.541 0.62 0 CA-C-O 119.071 -0.49 . . . . 0.0 111.93 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -62.2 -40.41 41.62 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.509 2.139 . . . . 0.0 111.992 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -59.55 -34.96 73.32 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.084 0.553 . . . . 0.0 112.458 176.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -67.45 -50.18 60.37 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.377 0.671 . . . . 0.0 110.006 176.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 49.6 m -54.63 -43.19 72.08 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.862 0.865 . . . . 0.0 111.65 177.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -62.82 -54.07 44.56 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.729 1.212 . . . . 0.0 110.763 175.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -56.51 -37.97 71.15 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.716 1.206 . . . . 0.0 112.502 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 37.3 mt -66.79 -41.99 86.73 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.24 1.416 . . . . 0.0 111.068 176.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 48.6 p -62.5 -39.62 94.08 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.214 0.915 . . . . 0.0 111.644 178.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 79.3 mt -58.8 -63.99 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 125.482 1.513 . . . . 0.0 110.112 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -60.16 -33.59 72.4 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -178.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -66.36 -51.46 56.95 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.757 0.823 . . . . 0.0 110.743 175.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 23.0 t -58.01 -34.75 70.35 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 118.524 0.602 . . . . 0.0 111.501 176.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 50.8 mt -62.05 -28.07 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 O-C-N 121.005 -1.059 . . . . 0.0 112.452 176.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -63.32 -46.07 88.34 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.379 1.445 . . . . 0.0 109.559 174.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 9.0 m -59.7 -40.75 88.97 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.773 1.629 . . . . 0.0 111.184 175.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.19 -54.62 44.89 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.337 1.455 . . . . 0.0 110.648 176.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 91.8 t -55.61 -50.46 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-O 118.428 -0.796 . . . . 0.0 110.45 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 27.2 t60 -52.57 -58.22 7.48 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.789 0.722 . . . . 0.0 111.012 177.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -56.55 -29.5 62.03 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 91.3 m -78.3 -14.15 59.54 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -120.04 -12.96 9.04 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 8.7 t -58.87 124.22 19.11 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.78 1.632 . . . . 0.0 112.175 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -78.73 -14.09 59.47 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.785 2.034 . . . . 0.0 115.407 -175.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 29.1 t30 -131.37 113.01 13.24 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.868 1.267 . . . . 0.0 112.702 -176.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -58.97 -15.89 15.26 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -92.11 6.93 44.69 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.144 1.777 . . . . 0.0 113.691 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 44.4 t -44.74 130.43 7.06 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 127.204 2.202 . . . . 0.0 113.0 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 20.2 m -75.43 -9.35 58.49 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 -176.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 16.9 tp -71.7 122.38 87.07 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 124.506 1.123 . . . . 0.0 112.373 -177.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.92 -41.79 61.54 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 123.147 2.564 . . . . 0.0 113.321 177.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 70.4 m -57.2 -49.06 77.17 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.328 1.451 . . . . 0.0 112.135 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 25.2 t -60.98 -56.3 22.73 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.924 1.69 . . . . 0.0 109.909 177.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -51.14 -52.06 47.55 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.566 1.546 . . . . 0.0 113.129 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -64.26 -45.43 88.12 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.29 1.036 . . . . 0.0 111.736 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 46.8 tpp -60.29 -39.5 87.15 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.962 0.905 . . . . 0.0 112.317 176.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -52.51 -34.77 51.18 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.108 0.963 . . . . 0.0 113.475 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -58.65 -58.51 8.24 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-N 119.9 1.227 . . . . 0.0 111.942 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 27.0 m -65.97 -33.9 66.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 118.306 0.503 . . . . 0.0 112.333 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 43.7 t -62.71 -47.22 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.841 0.856 . . . . 0.0 110.199 175.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -63.0 -30.02 71.27 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.439 1.096 . . . . 0.0 112.098 175.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 9.6 t60 -67.27 -65.28 0.7 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.495 0.718 . . . . 0.0 109.988 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 9.3 t -55.57 -34.75 65.05 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -175.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -72.81 -16.23 61.62 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -116.13 -9.13 12.29 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 125.702 1.62 . . . . 0.0 115.704 -178.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 9.5 t -64.81 168.98 5.56 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.728 1.611 . . . . 0.0 112.604 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -122.91 3.0 9.43 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.461 2.304 . . . . 0.0 112.812 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -130.02 179.85 5.63 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 128.836 2.854 . . . . 0.0 109.405 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1812 ' ' LYS . . . . . 0.443 ' HG3' ' H ' ' A' 1813 ' ' THR . 10.2 tptm -162.45 -172.25 3.09 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 126.189 1.796 . . . . 0.0 110.762 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1813 ' ' THR . . . . . 0.443 ' H ' ' HG3' ' A' 1812 ' ' LYS . 22.8 p -51.32 -47.48 62.65 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.589 1.956 . . . . 0.0 112.336 176.308 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 40.7 t30 -61.66 -32.27 72.43 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.208 1.403 . . . . 0.0 112.875 178.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -86.66 -23.22 43.51 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 124.734 1.159 . . . . 0.0 113.377 177.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 107.23 10.56 27.48 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 126.236 1.874 . . . . 0.0 116.946 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 9.6 t -61.24 111.03 3.59 Favored Pre-proline 0 CA--C 1.551 0.995 0 CA-C-N 120.31 2.055 . . . . 0.0 111.647 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -59.7 -47.67 15.36 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.84 2.36 . . . . 0.0 113.911 -177.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 42.8 t -56.64 -56.45 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 CA-C-N 119.162 0.892 . . . . 0.0 111.364 -178.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 62.1 m -54.63 -45.66 73.79 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.484 1.114 . . . . 0.0 110.442 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -55.8 -42.61 75.87 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.122 0.969 . . . . 0.0 112.642 177.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -61.31 -43.91 98.09 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.202 0.91 . . . . 0.0 111.166 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 6.3 mt -63.95 -53.92 42.68 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.982 0.513 . . . . 0.0 111.601 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 37.3 mm -56.4 -36.17 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.794 0.838 . . . . 0.0 112.431 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -58.34 -48.07 81.75 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.728 1.149 . . . . 0.0 111.678 175.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.85 -42.32 81.53 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.738 1.215 . . . . 0.0 111.283 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 97.6 m -58.55 -40.09 82.04 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.296 0.953 . . . . 0.0 110.909 174.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 49.3 t -64.16 -51.96 61.34 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.196 0.998 . . . . 0.0 111.116 176.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 32.7 t80 -56.16 -42.89 77.72 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.465 0.706 . . . . 0.0 111.309 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 44.4 t60 -58.97 -59.46 5.43 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.126 0.97 . . . . 0.0 110.147 175.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -54.12 -32.62 55.57 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.379 1.472 . . . . 0.0 114.644 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -56.28 -46.5 79.71 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.907 1.683 . . . . 0.0 111.114 177.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 47.6 m80 -90.24 -26.04 20.27 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.55 1.94 . . . . 0.0 114.634 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1834 ' ' CYS . . . . . 0.419 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 9.1 t -64.42 151.26 44.61 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.723 1.209 . . . . 0.0 113.602 -177.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -138.07 -1.36 1.97 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.409 1.884 . . . . 0.0 114.145 -178.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -73.74 134.31 43.46 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 120.646 -1.284 . . . . 0.0 112.133 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 31.0 t30 -71.41 -24.76 62.11 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -178.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -135.2 45.76 2.47 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 126.804 2.042 . . . . 0.0 112.03 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 25.8 t -53.66 136.89 53.63 Favored Pre-proline 0 CA--C 1.559 1.297 0 C-N-CA 125.703 1.601 . . . . 0.0 112.659 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -65.48 -25.03 55.97 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 123.474 2.782 . . . . 0.0 114.796 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 82.3 t -65.24 125.66 89.82 Favored Pre-proline 0 N--CA 1.476 0.864 0 CA-C-N 119.357 0.981 . . . . 0.0 109.211 178.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -62.8 -48.28 7.22 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.116 2.544 . . . . 0.0 115.104 -174.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -76.77 -24.44 52.9 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -177.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 53.0 t -41.99 -67.73 0.24 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.501 1.92 . . . . 0.0 113.145 -177.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 1.1 mp -52.35 -40.66 62.25 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.227 1.411 . . . . 0.0 113.846 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -62.19 -48.38 80.29 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.847 0.459 . . . . 0.0 110.265 176.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 10.7 mm -57.96 -47.22 87.09 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 118.531 -0.747 . . . . 0.0 110.516 176.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1848 ' ' LYS . . . . . 0.419 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 65.6 mttt -52.59 -46.5 66.96 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 120.004 1.275 . . . . 0.0 111.614 177.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 55.9 t60 -60.77 -45.7 93.35 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.969 0.907 . . . . 0.0 111.604 177.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -60.11 -46.36 89.88 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.395 1.478 . . . . 0.0 111.211 175.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.5 mp -58.28 -38.15 76.42 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.902 1.681 . . . . 0.0 112.191 176.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -65.65 -22.64 66.66 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.278 1.031 . . . . 0.0 113.739 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -72.72 -14.06 61.47 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -68.48 -17.17 64.12 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.676 1.19 . . . . 0.0 113.402 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 . . . . . 0 C--O 1.24 0.565 0 C-N-CA 125.746 1.618 . . . . 0.0 112.283 179.765 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 40.7 m . . . . . 0 CA--C 1.541 0.602 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -142.04 176.67 8.77 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.572 1.949 . . . . 0.0 112.159 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 95.3 mtp -131.1 170.79 14.06 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.054 1.742 . . . . 0.0 111.545 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.96 156.86 78.78 Favored Pre-proline 0 CA--C 1.547 0.847 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -77.26 -179.62 5.61 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 124.694 3.596 . . . . 0.0 106.763 169.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -114.91 165.62 12.67 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 124.361 1.064 . . . . 0.0 110.609 175.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -152.31 120.7 3.26 Favored Pre-proline 0 CA--C 1.545 0.766 0 C-N-CA 124.42 1.088 . . . . 0.0 110.307 -177.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -51.04 -29.85 29.22 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.505 2.804 . . . . 0.0 115.843 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -71.96 -21.31 61.61 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.097 0.959 . . . . 0.0 113.042 178.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -60.7 -29.51 69.37 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 120.039 1.29 . . . . 0.0 113.723 -176.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -64.41 -35.82 82.15 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.408 1.083 . . . . 0.0 111.246 176.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.58 -31.78 63.79 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.123 0.969 . . . . 0.0 111.629 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 28.8 t -71.29 -46.44 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-N 118.608 0.64 . . . . 0.0 109.608 175.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 8.6 t -47.18 -51.91 17.09 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.437 2.295 . . . . 0.0 114.536 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -64.48 -21.15 66.58 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 13.1 mt -90.24 -53.92 8.37 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 C-N-CA 125.645 1.578 . . . . 0.0 109.981 176.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -153.03 102.83 2.64 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 128.06 2.544 . . . . 0.0 111.099 177.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -77.21 175.14 11.71 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 122.83 2.354 . . . . 0.0 112.33 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -65.35 -26.36 67.99 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.06 -1.025 . . . . 0.0 112.971 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 19.0 m -69.81 -47.32 63.25 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.608 1.563 . . . . 0.0 114.812 -178.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 29.8 m -146.14 158.41 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 125.181 1.392 . . . . 0.0 113.297 -176.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 51.0 ttm -79.47 64.92 4.49 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.599 1.159 . . . . 0.0 110.191 174.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 17.9 tp -55.28 -21.58 15.18 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.142 1.377 . . . . 0.0 113.088 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.28 -22.14 17.38 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.199 1.4 . . . . 0.0 113.415 174.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.3 p -72.6 -13.99 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.05 0.94 . . . . 0.0 112.944 176.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -128.19 -22.83 3.37 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.412 1.485 . . . . 0.0 114.193 178.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -72.29 161.34 30.98 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.047 1.339 . . . . 0.0 111.678 176.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.59 96.29 0.17 Allowed Glycine 0 CA--C 1.531 1.07 0 C-N-CA 125.01 1.29 . . . . 0.0 112.839 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 67.8 mt -63.55 103.73 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.658 1.583 . . . . 0.0 109.469 178.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -77.58 59.3 1.93 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.178 1.391 . . . . 0.0 112.607 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 tt -49.63 -29.91 8.02 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.17 1.788 . . . . 0.0 113.425 -178.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 65.8 mt -50.5 -20.43 1.15 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.229 2.212 . . . . 0.0 113.762 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.2 t -62.38 -17.99 60.45 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.226 2.211 . . . . 0.0 113.902 174.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -57.6 147.7 59.52 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 124.581 1.152 . . . . 0.0 113.765 -176.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.53 167.34 24.42 Favored 'Trans proline' 0 CA--C 1.548 1.204 0 C-N-CA 123.259 2.639 . . . . 0.0 112.838 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -50.51 -28.98 23.11 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 124.402 3.401 . . . . 0.0 115.303 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -136.08 118.46 12.03 Favored Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 126.989 2.116 . . . . 0.0 108.278 175.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -65.47 -4.71 10.01 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.569 2.846 . . . . 0.0 115.462 -176.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -92.77 -8.63 61.9 Favored Glycine 0 CA--C 1.541 1.673 0 C-N-CA 125.102 1.334 . . . . 0.0 114.06 175.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 72.4 m -73.1 151.75 90.44 Favored Pre-proline 0 N--CA 1.473 0.697 0 CA-C-N 118.824 1.312 . . . . 0.0 111.993 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -74.99 -3.43 13.92 Favored 'Trans proline' 0 CA--C 1.545 1.034 0 C-N-CA 123.253 2.636 . . . . 0.0 115.183 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 . . . . . 0 CA--C 1.544 0.736 0 C-N-CA 125.929 1.691 . . . . 0.0 113.075 -178.24 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 27.6 t . . . . . 0 CA--C 1.541 0.617 0 CA-C-O 118.947 -0.549 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -50.08 -42.46 45.91 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.871 3.047 . . . . 0.0 113.887 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -60.85 -43.09 98.8 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.784 0.833 . . . . 0.0 111.897 177.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -66.37 -46.04 78.04 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.617 0.767 . . . . 0.0 110.887 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 62.8 m -54.84 -45.17 74.44 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.952 0.901 . . . . 0.0 110.968 176.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -63.1 -49.88 72.7 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.394 1.078 . . . . 0.0 111.433 175.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 30.7 ttm-85 -53.02 -45.19 67.86 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.213 1.405 . . . . 0.0 112.257 177.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 8.5 mp -70.06 -43.45 71.17 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.03 1.332 . . . . 0.0 111.476 177.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 57.7 m -62.75 -41.55 99.25 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.36 -0.837 . . . . 0.0 111.569 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 40.4 mt -55.39 -62.37 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 125.512 1.525 . . . . 0.0 109.911 176.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -60.17 -44.85 94.72 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -57.9 -47.04 83.99 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.074 0.852 . . . . 0.0 111.478 176.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 26.6 t -61.65 -38.48 87.86 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 122.825 0.45 . . . . 0.0 111.04 175.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 51.5 mt -63.72 -37.53 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.363 1.065 . . . . 0.0 112.249 177.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -58.28 -44.12 88.33 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 120.455 1.48 . . . . 0.0 110.095 174.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 25.1 m -65.14 -36.47 84.37 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.916 0.886 . . . . 0.0 112.138 175.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.02 -52.85 63.63 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.056 1.742 . . . . 0.0 109.512 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 90.4 t -56.71 -50.71 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.877 0.871 . . . . 0.0 110.226 176.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 34.0 t60 -52.1 -58.0 7.88 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.735 0.814 . . . . 0.0 111.03 177.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -55.73 -30.38 61.11 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 89.0 m -74.22 -15.09 61.01 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 177.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -119.84 -15.13 8.9 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.181 1.392 . . . . 0.0 114.134 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 15.5 t -60.83 119.1 7.55 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.39 1.876 . . . . 0.0 111.678 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -74.06 -8.5 56.35 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 126.429 1.892 . . . . 0.0 115.683 -175.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 25.8 t30 -140.35 115.02 9.49 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.472 1.109 . . . . 0.0 112.722 -176.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.75 -15.46 20.28 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 177.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -93.53 11.28 29.18 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 126.564 1.946 . . . . 0.0 113.538 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 52.9 t -44.88 138.15 3.7 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 127.564 2.346 . . . . 0.0 112.969 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 78.9 p -73.48 -5.36 39.58 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 -176.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 27.0 tp -77.8 119.15 76.28 Favored Pre-proline 0 CA--C 1.549 0.937 0 CA-C-N 120.312 1.414 . . . . 0.0 110.829 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.11 -42.15 39.68 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 123.356 2.704 . . . . 0.0 114.899 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 91.1 p -70.8 -37.15 73.26 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 49.7 t -59.38 -50.14 75.1 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.433 1.493 . . . . 0.0 109.776 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -49.19 -50.09 39.64 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.546 1.538 . . . . 0.0 111.977 176.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -66.08 -50.73 63.08 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.51 1.124 . . . . 0.0 111.821 177.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 57.4 tpp -54.37 -40.99 68.65 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.011 1.324 . . . . 0.0 113.077 178.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -51.97 -37.33 52.6 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.049 0.939 . . . . 0.0 113.223 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -60.73 -57.64 11.84 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.557 1.071 . . . . 0.0 111.848 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 17.8 m -62.4 -36.94 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 118.523 0.601 . . . . 0.0 112.196 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 44.9 t -61.24 -50.94 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.007 0.923 . . . . 0.0 110.332 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -63.01 -29.54 70.9 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.188 0.995 . . . . 0.0 112.405 176.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.4 t60 -68.54 -66.95 0.51 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.157 0.983 . . . . 0.0 110.0 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 2.8 t -56.7 -33.22 66.25 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 -174.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -69.35 -14.08 62.72 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -133.28 0.36 4.31 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 124.953 1.263 . . . . 0.0 116.154 -178.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 49.6 t -56.01 129.98 42.03 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.026 1.413 . . . . 0.0 112.732 -178.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -72.86 -7.18 49.63 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.598 1.559 . . . . 0.0 113.032 178.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -119.95 -55.54 2.07 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.731 2.013 . . . . 0.0 111.769 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1812 ' ' LYS . . . . . 0.481 ' HG2' ' H ' ' A' 1813 ' ' THR . 22.5 tttm 54.4 -175.69 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 127.596 2.358 . . . . 0.0 113.536 -177.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1813 ' ' THR . . . . . 0.481 ' H ' ' HG2' ' A' 1812 ' ' LYS . 81.2 p -57.67 -32.94 67.82 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 120.34 -1.475 . . . . 0.0 112.601 178.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 38.1 t30 -58.5 -40.0 81.6 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.408 1.483 . . . . 0.0 112.267 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -91.28 -5.44 67.46 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 125.065 1.317 . . . . 0.0 113.866 177.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 97.02 14.8 41.23 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.622 1.582 . . . . 0.0 116.122 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 25.3 t -56.76 119.25 28.28 Favored Pre-proline 0 CA--C 1.552 1.023 0 CA-C-N 119.432 1.616 . . . . 0.0 111.761 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -65.06 -38.21 29.34 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.941 2.427 . . . . 0.0 113.739 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 64.5 t -58.46 -57.69 9.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.248 1.019 . . . . 0.0 110.34 178.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 56.6 m -53.78 -45.58 70.73 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.372 1.469 . . . . 0.0 110.642 177.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -40.81 74.18 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 118.208 -0.901 . . . . 0.0 112.233 177.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -62.94 -44.91 94.79 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.666 1.121 . . . . 0.0 111.426 177.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.79 -50.1 68.11 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 122.933 0.493 . . . . 0.0 111.755 178.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 39.7 mm -64.19 -31.52 53.7 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 124.158 0.983 . . . . 0.0 112.034 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -58.88 -49.24 78.51 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 120.371 1.441 . . . . 0.0 110.584 174.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.81 -42.6 97.65 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.525 1.13 . . . . 0.0 110.827 175.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 11.0 t -59.79 -35.78 75.36 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 118.649 0.659 . . . . 0.0 111.676 174.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 37.1 t -67.92 -49.1 63.84 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.32 1.048 . . . . 0.0 110.645 176.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 24.7 t80 -57.5 -37.54 73.15 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.242 0.617 . . . . 0.0 111.199 175.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 41.7 t60 -64.29 -63.17 1.21 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.526 1.13 . . . . 0.0 109.955 173.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -50.74 -37.03 39.44 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.409 1.883 . . . . 0.0 114.588 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -55.51 -46.78 76.93 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 126.364 1.865 . . . . 0.0 111.494 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 32.7 m80 -90.02 -24.71 21.14 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.321 1.448 . . . . 0.0 114.232 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1834 ' ' CYS . . . . . 0.435 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 14.4 t -64.31 151.27 44.29 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.74 1.616 . . . . 0.0 112.994 -178.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -136.49 -3.77 2.11 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.075 1.75 . . . . 0.0 114.311 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -76.12 115.45 15.85 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.715 -1.241 . . . . 0.0 111.687 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 36.9 t30 -61.39 -17.55 54.62 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -131.72 35.78 3.77 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.88 2.072 . . . . 0.0 113.038 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 18.0 t -50.54 135.45 25.34 Favored Pre-proline 0 CA--C 1.559 1.321 0 C-N-CA 126.206 1.803 . . . . 0.0 112.432 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -66.16 -19.43 56.82 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 123.67 2.913 . . . . 0.0 115.627 -177.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 74.8 t -68.56 117.51 51.04 Favored Pre-proline 0 N--CA 1.475 0.818 0 C-N-CA 124.394 1.078 . . . . 0.0 109.709 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -48.74 -51.32 10.61 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 124.297 3.331 . . . . 0.0 116.378 -176.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -81.36 -23.1 37.93 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -176.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 48.6 t -42.58 -65.21 0.5 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.331 1.853 . . . . 0.0 112.815 -177.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 58.6 mt -54.33 -37.09 64.47 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.343 1.457 . . . . 0.0 113.573 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 55.1 t30 -65.91 -46.77 77.04 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 118.627 0.649 . . . . 0.0 110.207 175.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 11.4 mm -58.06 -47.48 86.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-O 118.704 -0.665 . . . . 0.0 110.401 176.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1848 ' ' LYS . . . . . 0.435 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 69.7 mttt -52.29 -46.23 65.84 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 119.724 1.147 . . . . 0.0 111.549 176.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 50.5 t60 -60.37 -51.41 69.61 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.559 0.744 . . . . 0.0 110.746 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 11.1 mptt -54.24 -42.4 69.84 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.203 1.401 . . . . 0.0 111.66 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.7 mp -62.57 -46.18 89.51 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.915 1.686 . . . . 0.0 112.07 176.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -68.7 -28.73 67.1 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.864 0.866 . . . . 0.0 113.203 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -70.09 -12.73 61.81 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.555 1.142 . . . . 0.0 113.693 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -65.46 -22.02 66.7 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.381 1.072 . . . . 0.0 113.182 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 22.1 mm100 . . . . . 0 C--O 1.24 0.57 0 C-N-CA 125.437 1.495 . . . . 0.0 111.414 179.347 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 CA--C 1.54 0.573 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -69.22 166.41 18.45 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.39 1.076 . . . . 0.0 112.809 178.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 64.2 mtt -113.83 26.16 10.59 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.427 1.891 . . . . 0.0 111.851 178.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.63 151.64 50.75 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 126.311 1.844 . . . . 0.0 114.561 -178.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -80.72 -119.97 0.01 OUTLIER 'Trans proline' 0 CA--C 1.55 1.306 0 C-N-CA 124.449 3.433 . . . . 0.0 109.383 175.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -150.35 168.16 24.92 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.378 1.471 . . . . 0.0 111.967 176.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -155.48 152.23 24.1 Favored Pre-proline 0 CA--C 1.542 0.641 0 C-N-CA 126.16 1.784 . . . . 0.0 110.366 177.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -71.74 -7.57 21.41 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.378 2.052 . . . . 0.0 114.906 -176.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -95.36 -11.64 27.41 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.56 -34.79 74.68 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.139 -0.975 . . . . 0.0 112.957 -176.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -72.03 -33.26 67.88 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.586 1.154 . . . . 0.0 111.672 176.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.71 -43.6 68.64 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.368 1.067 . . . . 0.0 111.432 177.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 33.1 m -73.01 -37.53 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 119.142 0.883 . . . . 0.0 111.906 176.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 73.7 m -57.85 -42.32 84.23 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -177.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -68.89 -23.59 64.22 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 15.9 mt -90.19 -52.44 10.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 C-N-CA 126.325 1.85 . . . . 0.0 111.223 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -150.36 91.05 4.23 Favored Pre-proline 0 CA--C 1.559 1.306 0 C-N-CA 129.332 3.053 . . . . 0.0 112.323 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -74.89 173.99 13.51 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 123.086 2.524 . . . . 0.0 113.103 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -70.52 -22.29 62.64 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.3 -0.875 . . . . 0.0 112.931 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 24.9 p -73.8 -54.16 8.64 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.326 1.85 . . . . 0.0 113.694 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 20.2 m -140.63 160.46 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.624 1.57 . . . . 0.0 112.951 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 96.7 mmm -81.93 67.13 7.8 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.345 1.058 . . . . 0.0 110.89 175.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.42 -28.0 18.14 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.52 -19.58 3.91 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.5 p -75.96 -15.99 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 119.233 0.924 . . . . 0.0 113.094 176.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -130.1 -26.55 2.36 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.99 1.716 . . . . 0.0 114.643 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -80.99 160.92 24.47 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.056 2.142 . . . . 0.0 111.999 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -133.48 159.98 23.83 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.99 1.281 . . . . 0.0 113.586 178.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 82.1 mt -119.85 116.1 49.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 126.399 1.879 . . . . 0.0 109.074 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -77.81 64.58 3.09 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.564 1.146 . . . . 0.0 112.752 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 tt -57.19 -21.37 32.82 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.589 1.556 . . . . 0.0 112.559 177.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 59.7 mt -53.29 -14.93 0.81 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 127.466 2.306 . . . . 0.0 113.385 175.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.6 t -64.65 -16.86 63.43 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.662 2.385 . . . . 0.0 113.868 175.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -54.01 162.25 1.53 Allowed Pre-proline 0 CA--C 1.561 1.367 0 C-N-CA 126.134 1.774 . . . . 0.0 115.582 -177.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . 0.274 75.6 Cg_exo -45.41 -58.72 1.46 Allowed 'Trans proline' 0 CA--C 1.548 1.222 1 C-N-CA 125.342 4.028 . . . . 0.0 119.236 -173.511 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -70.62 162.9 40.87 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 122.22 1.947 . . . . 0.0 110.987 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . 0.15 80.36 0.04 OUTLIER Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 128.886 2.874 . . . . 0.0 114.935 -176.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -67.49 119.87 6.9 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 123.427 2.751 . . . . 0.0 112.771 -174.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -82.96 -179.07 52.59 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 124.611 1.1 . . . . 0.0 113.338 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 48.5 m -56.79 120.64 39.14 Favored Pre-proline 0 CA--C 1.542 0.656 0 C-N-CA 125.673 1.589 . . . . 0.0 112.278 -178.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -77.36 1.7 8.48 Favored 'Trans proline' 0 CA--C 1.546 1.089 0 C-N-CA 123.445 2.763 . . . . 0.0 114.4 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 . . . . . 0 N--CA 1.473 0.677 0 C-N-CA 126.936 2.094 . . . . 0.0 112.977 -179.414 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 69.2 m . . . . . 0 CA--C 1.541 0.603 0 CA-C-O 118.634 -0.698 . . . . 0.0 112.129 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.87 -47.03 29.37 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 123.367 2.712 . . . . 0.0 112.727 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 19.8 tm0? -56.59 -48.12 78.11 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.319 1.447 . . . . 0.0 111.313 177.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -62.66 -49.55 74.69 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.743 0.817 . . . . 0.0 110.857 177.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 9.3 t -55.48 -48.32 74.75 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.922 1.289 . . . . 0.0 112.151 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.96 -48.42 78.93 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.14 0.976 . . . . 0.0 111.375 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -59.28 -41.95 90.12 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.775 0.83 . . . . 0.0 112.021 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 50.2 mt -65.77 -38.39 88.91 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.606 1.163 . . . . 0.0 111.376 176.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 55.0 m -64.46 -44.43 91.12 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.496 -0.752 . . . . 0.0 111.175 178.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 64.4 mt -54.69 -60.62 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 124.405 1.082 . . . . 0.0 110.782 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -60.92 -32.59 72.08 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -65.0 -52.03 58.38 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.888 0.875 . . . . 0.0 110.655 175.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 32.2 t -59.13 -35.39 73.37 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.038 0.835 . . . . 0.0 111.596 176.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 51.2 mt -60.87 -25.11 34.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 C-N-CA 124.35 1.06 . . . . 0.0 112.331 175.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -64.8 -42.76 94.76 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 120.135 -1.603 . . . . 0.0 109.666 172.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 8.1 t -62.25 -41.21 98.24 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.335 1.054 . . . . 0.0 111.274 174.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 58.6 tp -54.41 -51.95 63.27 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.454 1.101 . . . . 0.0 110.938 175.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 48.0 t -61.58 -50.72 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.251 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 34.0 t60 -52.12 -58.87 5.27 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.483 1.038 . . . . 0.0 111.761 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.33 -33.02 67.3 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 12.7 p -76.14 -12.62 60.14 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -120.09 -7.78 9.83 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.242 1.417 . . . . 0.0 114.735 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 12.9 t -61.93 116.77 5.15 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.356 1.462 . . . . 0.0 111.41 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -74.73 -6.26 47.86 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.032 1.733 . . . . 0.0 115.546 -175.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 30.8 t30 -135.99 110.84 8.76 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.575 1.15 . . . . 0.0 112.28 -177.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -58.23 -16.04 12.29 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 178.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -90.78 4.89 50.42 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.109 1.764 . . . . 0.0 113.694 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 49.5 t -45.17 122.94 3.65 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.074 2.15 . . . . 0.0 112.348 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 15.4 m -73.54 -4.83 36.39 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 115.9 1.815 . . . . 0.0 115.9 -175.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 13.2 tp -66.18 133.28 94.6 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-N 120.697 1.59 . . . . 0.0 109.854 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -64.36 -38.21 35.55 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 121.719 1.613 . . . . 0.0 111.708 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 20.2 m -63.12 -49.47 74.27 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.982 1.313 . . . . 0.0 111.85 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 35.1 t -55.83 -52.25 64.66 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.465 1.506 . . . . 0.0 110.708 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -54.33 -48.72 71.06 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.779 1.231 . . . . 0.0 112.305 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1798 ' ' LYS . . . . . 0.455 ' HZ1' ' HB2' ' B' ' 59' ' ' GLU . 47.7 mtmt -60.89 -48.9 79.7 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 118.835 0.743 . . . . 0.0 111.407 175.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 3.1 tpt -54.8 -41.02 70.09 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.938 0.895 . . . . 0.0 112.098 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 13.8 mptt -54.02 -35.41 61.9 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 117.799 -1.096 . . . . 0.0 113.064 177.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -63.36 -54.23 40.05 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 120.181 1.355 . . . . 0.0 111.496 177.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 22.9 m -64.11 -37.3 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-N 118.645 0.657 . . . . 0.0 112.039 178.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 45.7 t -61.12 -46.73 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.137 0.975 . . . . 0.0 110.428 175.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.32 -31.37 72.5 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.749 1.219 . . . . 0.0 111.942 175.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 7.7 t60 -67.84 -64.49 0.85 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.647 0.779 . . . . 0.0 110.262 176.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 13.1 t -54.18 -35.0 61.84 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 114.403 1.261 . . . . 0.0 114.403 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -75.01 -13.2 60.48 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 177.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -127.52 -5.94 5.32 Favored Glycine 0 CA--C 1.539 1.556 0 N-CA-C 116.836 1.494 . . . . 0.0 116.836 -177.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 48.9 t -59.72 154.02 19.02 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.169 1.485 . . . . 0.0 112.774 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.14 0.14 23.2 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 127.41 2.284 . . . . 0.0 113.954 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -119.03 -56.58 2.09 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.903 1.681 . . . . 0.0 111.491 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 45.5 mtpt 52.98 -173.78 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.148 2.179 . . . . 0.0 113.934 -178.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 15.0 p -59.02 -25.77 63.96 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 120.439 -1.413 . . . . 0.0 112.73 176.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 37.3 t30 -58.95 -39.42 81.6 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.071 1.349 . . . . 0.0 111.823 175.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -98.89 -5.33 56.53 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 125.529 1.538 . . . . 0.0 114.082 177.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 94.47 17.66 38.48 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 125.652 1.596 . . . . 0.0 116.013 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 12.1 t -54.67 112.96 4.56 Favored Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 125.427 1.491 . . . . 0.0 112.553 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -55.62 -42.07 71.39 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.912 3.075 . . . . 0.0 114.876 -177.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 41.3 t -61.44 -54.2 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.607 0.763 . . . . 0.0 110.878 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 47.7 m -56.96 -44.62 82.78 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.545 1.138 . . . . 0.0 110.731 177.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1821 ' ' LYS . . . . . 0.4 ' O ' ' HE2' ' A' 1821 ' ' LYS . 0.0 OUTLIER -57.87 -50.69 72.46 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.779 1.231 . . . . 0.0 110.198 175.41 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -53.79 -45.42 70.7 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.693 1.197 . . . . 0.0 112.02 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.35 -51.02 63.32 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.815 0.734 . . . . 0.0 110.981 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 65.9 mt -60.76 -32.07 51.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 124.427 1.091 . . . . 0.0 111.452 178.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -59.95 -55.11 38.08 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.94 1.296 . . . . 0.0 110.206 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.13 -38.81 90.36 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.472 -0.768 . . . . 0.0 111.565 176.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 72.1 m -61.4 -38.15 86.05 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 118.932 0.787 . . . . 0.0 111.301 173.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 43.2 t -66.44 -48.6 69.44 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.675 1.19 . . . . 0.0 111.036 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 37.6 t80 -57.02 -43.61 82.04 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.012 0.525 . . . . 0.0 110.669 175.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 37.0 t60 -58.59 -58.16 9.79 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.747 0.819 . . . . 0.0 109.808 175.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -52.46 -34.39 48.82 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.92 1.688 . . . . 0.0 114.691 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -56.9 -46.54 81.87 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.988 1.715 . . . . 0.0 111.038 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 49.5 m80 -90.14 -25.24 20.8 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.526 1.93 . . . . 0.0 114.685 -178.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1834 ' ' CYS . . . . . 0.463 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 8.7 t -64.88 164.08 13.16 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.456 1.502 . . . . 0.0 113.694 -178.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -149.02 -5.84 0.39 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.066 1.746 . . . . 0.0 115.196 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -76.01 111.37 11.33 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 120.959 -1.088 . . . . 0.0 111.485 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -59.4 -11.06 3.74 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 116.289 1.959 . . . . 0.0 116.289 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -133.11 27.46 4.19 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.291 2.236 . . . . 0.0 113.064 -178.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 15.0 t -48.49 134.53 13.15 Favored Pre-proline 0 CA--C 1.559 1.302 0 C-N-CA 126.662 1.985 . . . . 0.0 113.123 -178.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -66.68 -21.71 51.4 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 123.796 2.997 . . . . 0.0 115.722 -177.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 75.6 t -64.73 119.4 57.27 Favored Pre-proline 0 N--CA 1.477 0.89 0 CA-C-N 119.599 1.09 . . . . 0.0 110.331 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -47.03 -56.54 2.95 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 124.663 3.575 . . . . 0.0 116.572 -176.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -79.72 -19.02 49.82 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.789 1.404 . . . . 0.0 114.789 -176.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 52.5 t -45.95 -68.86 0.16 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.646 1.578 . . . . 0.0 112.68 -177.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 59.5 mt -54.32 -36.16 63.45 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.239 1.416 . . . . 0.0 113.655 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -63.91 -49.11 73.93 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.463 0.705 . . . . 0.0 110.227 175.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 8.3 mm -59.66 -46.55 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-O 118.562 -0.732 . . . . 0.0 110.473 175.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1848 ' ' LYS . . . . . 0.463 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 69.2 mttt -51.78 -47.27 64.26 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 119.666 1.121 . . . . 0.0 110.992 177.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 48.0 t60 -57.68 -49.41 76.6 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.498 0.719 . . . . 0.0 110.805 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -58.06 -40.98 82.36 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 118.735 0.698 . . . . 0.0 111.78 177.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.64 -39.56 91.76 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.455 1.502 . . . . 0.0 112.062 176.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -76.07 -27.6 57.3 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 118.974 0.806 . . . . 0.0 112.625 176.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -67.08 -13.26 61.76 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.552 1.141 . . . . 0.0 113.286 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -66.41 -21.03 66.21 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.806 1.242 . . . . 0.0 113.231 177.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 . . . . . 0 CA--C 1.541 0.6 0 C-N-CA 125.167 1.387 . . . . 0.0 111.955 179.392 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 78.2 p . . . . . 0 N--CA 1.471 0.594 0 N-CA-C 114.128 1.158 . . . . 0.0 114.128 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -71.51 -0.26 10.08 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.957 1.703 . . . . 0.0 115.114 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 25.1 mmt -72.86 13.85 0.34 Allowed 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 127.332 2.253 . . . . 0.0 115.387 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -145.09 136.66 12.78 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 126.574 1.95 . . . . 0.0 111.757 178.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -77.23 -93.16 0.01 OUTLIER 'Trans proline' 0 CA--C 1.546 1.086 0 C-N-CA 123.813 3.009 . . . . 0.0 110.729 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -162.54 170.49 18.53 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.254 1.822 . . . . 0.0 111.798 177.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -157.7 135.72 7.38 Favored Pre-proline 0 CA--C 1.549 0.904 0 C-N-CA 126.646 1.978 . . . . 0.0 109.542 176.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -64.74 -12.63 34.92 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.929 2.419 . . . . 0.0 115.547 -177.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -103.58 -7.2 20.98 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.091 1.356 . . . . 0.0 113.214 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.455 ' HB2' ' HZ1' ' A' 1798 ' ' LYS . 9.3 pt-20 -57.57 -35.51 70.47 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -172.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -59.25 -46.98 87.06 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.356 1.062 . . . . 0.0 110.588 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.15 -22.7 66.96 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.459 1.104 . . . . 0.0 113.35 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 38.5 t -79.92 -50.73 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-N 119.06 0.845 . . . . 0.0 109.175 175.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 37.4 m -54.78 -39.2 68.17 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.144 1.377 . . . . 0.0 114.698 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -63.2 -24.78 68.03 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 119.337 0.971 . . . . 0.0 113.1 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 7.4 mt -90.07 -53.58 8.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 125.981 1.712 . . . . 0.0 109.419 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -151.52 101.61 2.93 Favored Pre-proline 0 CA--C 1.551 1.008 0 C-N-CA 127.147 2.179 . . . . 0.0 111.343 179.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -76.1 172.01 17.06 Favored 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 122.46 2.107 . . . . 0.0 110.595 176.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -69.43 -22.02 63.7 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 120.699 -1.25 . . . . 0.0 112.989 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 18.1 m -71.59 -46.88 58.04 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.956 1.702 . . . . 0.0 114.823 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.8 m -144.9 159.36 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 125.213 1.405 . . . . 0.0 112.978 -177.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 48.1 tpp -80.3 65.08 5.33 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.33 1.052 . . . . 0.0 110.857 175.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 56.2 tp -55.71 -25.15 38.69 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.132 1.373 . . . . 0.0 113.202 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.41 -18.6 51.87 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.287 1.035 . . . . 0.0 113.339 175.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 1.8 p -71.62 -13.16 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.243 1.017 . . . . 0.0 112.627 176.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -132.64 -25.34 1.9 Allowed 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -73.72 124.1 25.37 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.026 -1.046 . . . . 0.0 113.102 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -85.96 93.72 1.88 Allowed Glycine 0 CA--C 1.532 1.137 0 C-N-CA 125.354 1.454 . . . . 0.0 111.923 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 7.3 mm -67.83 103.26 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.999 1.32 . . . . 0.0 111.73 -176.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -74.52 61.05 0.91 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.914 2.086 . . . . 0.0 113.225 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 tt -56.02 -28.07 55.79 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.623 1.169 . . . . 0.0 111.712 176.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 18.5 mt -47.62 -18.92 0.16 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 129.609 3.164 . . . . 0.0 113.586 175.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.0 t -61.68 -19.3 62.19 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 127.173 2.189 . . . . 0.0 113.705 175.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -62.43 152.4 80.12 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 124.329 1.052 . . . . 0.0 112.244 178.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -70.46 121.96 8.47 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 122.753 2.302 . . . . 0.0 111.077 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -70.97 -24.16 24.47 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.764 2.309 . . . . 0.0 113.175 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -153.47 153.87 29.75 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 126.937 2.095 . . . . 0.0 110.214 177.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -71.87 -15.13 29.75 Favored 'Trans proline' 0 CA--C 1.543 0.969 0 C-N-CA 123.152 2.568 . . . . 0.0 113.79 179.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.93 18.42 57.34 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 126.26 1.886 . . . . 0.0 114.897 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 95.9 p -68.95 160.26 78.97 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-N 118.689 1.245 . . . . 0.0 111.545 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -61.07 -25.22 80.93 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 122.185 1.923 . . . . 0.0 115.278 -178.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 . . . . . 0 N--CA 1.47 0.539 0 C-N-CA 125.118 1.367 . . . . 0.0 111.345 179.84 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 CA--C 1.544 0.718 0 CA-C-O 119.49 -0.291 . . . . 0.0 111.629 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -49.84 -44.99 34.2 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 124.708 3.605 . . . . 0.0 115.108 -178.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -63.6 -50.78 68.07 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.885 1.274 . . . . 0.0 111.41 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.73 -41.59 99.24 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.496 0.718 . . . . 0.0 111.609 178.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 58.8 m -55.82 -46.47 78.09 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.807 0.843 . . . . 0.0 110.814 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 68.3 mtt85 -65.3 -47.87 75.09 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.731 1.212 . . . . 0.0 111.364 175.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 34.7 ttm105 -58.66 -35.15 72.1 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.588 1.555 . . . . 0.0 112.908 178.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 71.7 mt -76.88 -40.62 46.88 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.244 1.017 . . . . 0.0 110.908 175.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 62.8 m -65.81 -49.64 67.51 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.697 0.799 . . . . 0.0 112.28 178.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 16.0 tt -56.49 -49.44 77.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.195 1.398 . . . . 0.0 112.437 -179.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -63.91 -37.57 87.89 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 118.992 0.815 . . . . 0.0 112.287 178.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -61.24 -51.96 66.74 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.839 1.256 . . . . 0.0 110.703 175.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 85.7 m -57.83 -40.86 81.06 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.748 0.819 . . . . 0.0 111.206 176.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 42.2 mt -60.99 -31.3 49.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 O-C-N 121.292 -0.88 . . . . 0.0 112.525 177.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -63.56 -44.72 93.3 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 120.49 1.495 . . . . 0.0 110.084 174.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 34.8 m -63.53 -35.93 82.12 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.412 1.085 . . . . 0.0 111.881 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 57.7 tp -61.62 -44.84 96.25 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.902 1.281 . . . . 0.0 111.051 176.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 59.0 t -59.66 -50.57 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-O 118.454 -0.784 . . . . 0.0 109.454 175.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 38.3 t60 -53.48 -57.0 12.27 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.316 0.962 . . . . 0.0 111.032 177.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -55.38 -36.11 66.01 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 8.9 p -73.54 -15.8 61.29 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -114.4 -13.74 12.24 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.067 1.347 . . . . 0.0 114.229 178.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 12.5 t -64.04 113.45 3.51 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.472 1.509 . . . . 0.0 111.554 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -3.01 19.76 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 116.32 1.97 . . . . 0.0 116.32 -176.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 30.5 t30 -137.13 111.04 8.21 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.835 1.198 . . . . 0.0 112.055 -178.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.39 -15.05 14.38 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 178.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -91.98 6.54 45.93 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 126.294 1.838 . . . . 0.0 113.503 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 53.7 t -45.39 130.34 8.4 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 127.144 2.178 . . . . 0.0 112.179 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 14.8 m -66.78 -6.08 14.6 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 116.388 1.996 . . . . 0.0 116.388 -174.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 15.7 tp -78.38 124.04 85.65 Favored Pre-proline 0 CA--C 1.55 0.968 0 CA-C-N 120.308 1.413 . . . . 0.0 111.651 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -50.61 -42.59 49.2 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 123.478 2.785 . . . . 0.0 114.911 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 49.9 m -72.16 -37.24 69.4 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -178.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 38.5 t -59.2 -51.48 69.83 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.585 1.154 . . . . 0.0 108.977 175.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -50.3 -49.23 54.22 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.414 1.486 . . . . 0.0 112.051 175.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 83.2 mttt -60.74 -50.09 74.86 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.948 1.299 . . . . 0.0 111.621 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -40.82 81.82 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.096 0.958 . . . . 0.0 112.494 176.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -53.56 -39.96 65.18 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.909 0.884 . . . . 0.0 112.316 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -60.8 -56.31 22.68 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 119.261 0.937 . . . . 0.0 112.002 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 26.9 m -66.46 -36.75 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 3.0 p -67.83 -40.01 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 119.966 1.257 . . . . 0.0 110.939 177.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -63.05 -29.89 71.17 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.637 0.775 . . . . 0.0 111.595 174.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.7 t60 -67.43 -67.59 0.45 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.54 0.736 . . . . 0.0 109.596 174.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 6.2 t -55.75 -33.93 64.75 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 115.016 1.488 . . . . 0.0 115.016 -174.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.83 -15.79 62.67 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 178.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -125.17 -9.04 5.28 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 125.284 1.421 . . . . 0.0 116.178 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 52.4 t -56.88 137.07 55.65 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.654 1.582 . . . . 0.0 112.048 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -91.09 -1.08 57.83 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.932 1.693 . . . . 0.0 113.002 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -115.16 -58.97 2.07 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.182 1.793 . . . . 0.0 111.959 -179.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 46.9 mtpt 53.8 -176.55 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.493 2.317 . . . . 0.0 114.213 -177.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 20.0 p -54.67 -40.55 69.21 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.014 1.325 . . . . 0.0 113.166 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -62.2 -21.05 64.81 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.247 1.019 . . . . 0.0 113.582 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -105.3 -2.99 41.42 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 125.989 1.757 . . . . 0.0 113.57 176.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 94.82 10.46 57.67 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.773 1.654 . . . . 0.0 116.061 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 14.0 t -59.28 120.9 52.0 Favored Pre-proline 0 CA--C 1.551 1.015 0 CA-C-N 119.421 1.61 . . . . 0.0 111.935 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -69.01 -40.48 6.43 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.815 2.343 . . . . 0.0 114.206 -177.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 61.2 t -58.06 -56.31 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 119.808 1.186 . . . . 0.0 111.361 -178.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 37.0 m -52.07 -45.6 64.84 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.378 1.471 . . . . 0.0 111.149 178.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.43 -49.35 77.61 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.101 1.36 . . . . 0.0 110.931 176.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -60.43 -39.66 88.25 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.089 0.859 . . . . 0.0 112.144 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.85 -50.06 70.32 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-O 121.414 0.626 . . . . 0.0 110.286 176.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 62.3 mt -61.34 -29.98 47.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 125.207 1.403 . . . . 0.0 112.283 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -57.43 -47.16 82.51 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 120.029 1.286 . . . . 0.0 111.244 175.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 9.1 mp -67.62 -40.98 84.67 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.976 0.91 . . . . 0.0 110.93 175.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 74.6 m -58.79 -40.91 85.41 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 122.818 0.447 . . . . 0.0 110.989 175.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 44.6 t -64.71 -50.78 65.61 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.3 1.44 . . . . 0.0 111.212 176.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 47.2 t80 -56.39 -42.4 77.87 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.702 0.801 . . . . 0.0 111.257 176.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 41.7 t60 -61.65 -58.71 7.01 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.248 1.019 . . . . 0.0 110.192 174.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -53.17 -32.13 46.17 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.181 1.792 . . . . 0.0 114.827 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -56.5 -47.49 79.17 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.792 1.637 . . . . 0.0 110.922 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -90.12 -25.19 20.84 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.448 1.499 . . . . 0.0 114.385 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 17.8 t -66.07 161.81 20.88 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.963 1.305 . . . . 0.0 113.526 -179.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.59 -0.03 0.56 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 127.199 2.2 . . . . 0.0 114.504 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -68.11 114.33 6.53 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.747 -1.221 . . . . 0.0 111.087 178.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 31.5 t30 -62.99 -17.93 62.71 Favored 'General case' 0 CA--C 1.551 1.015 0 O-C-N 120.594 -1.316 . . . . 0.0 113.754 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 96.7 mttt -131.52 32.97 4.1 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 127.176 2.19 . . . . 0.0 113.05 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 5.7 t -45.75 135.33 6.28 Favored Pre-proline 0 CA--C 1.554 1.126 0 C-N-CA 126.365 1.866 . . . . 0.0 112.451 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -64.02 -23.78 67.37 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 122.693 2.262 . . . . 0.0 114.327 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 87.4 t -71.3 120.36 79.2 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 124.787 1.235 . . . . 0.0 109.183 176.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -65.65 -41.87 13.71 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.817 2.344 . . . . 0.0 114.089 -176.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -71.42 -30.0 65.55 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 179.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 38.3 t -49.87 -65.89 0.49 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.109 1.364 . . . . 0.0 110.949 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 69.4 mt -51.21 -40.66 59.23 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.506 1.522 . . . . 0.0 113.734 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -62.35 -50.01 73.29 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.187 0.595 . . . . 0.0 109.953 176.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 8.3 mm -59.87 -47.01 93.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-O 118.77 -0.633 . . . . 0.0 110.425 175.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -53.58 -45.84 70.11 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.789 1.177 . . . . 0.0 111.073 177.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 55.2 t60 -57.34 -51.57 68.84 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.677 0.791 . . . . 0.0 110.669 176.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 14.2 mptt -54.63 -47.39 73.54 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.414 1.086 . . . . 0.0 111.502 175.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 5.8 mp -61.77 -50.32 72.85 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.371 1.869 . . . . 0.0 113.412 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -71.28 -23.03 61.89 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 118.803 0.729 . . . . 0.0 112.716 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -74.7 -11.9 60.29 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.076 1.35 . . . . 0.0 113.184 177.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -61.56 -16.61 49.5 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 178.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.585 0 C-N-CA 126.303 1.841 . . . . 0.0 113.175 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 CA--C 1.542 0.638 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -70.32 -15.53 62.89 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.435 1.494 . . . . 0.0 114.118 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 28.1 ptm -148.62 168.91 21.56 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.457 1.903 . . . . 0.0 111.851 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.68 128.62 93.94 Favored Pre-proline 0 CA--C 1.55 0.959 0 C-N-CA 123.866 0.866 . . . . 0.0 111.428 177.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -73.91 -88.11 0.0 OUTLIER 'Trans proline' 0 CA--C 1.544 1.013 0 C-N-CA 123.489 2.793 . . . . 0.0 111.212 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -165.87 172.07 12.03 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.773 2.029 . . . . 0.0 111.164 177.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -152.62 133.03 7.53 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 126.158 1.783 . . . . 0.0 109.54 175.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -65.91 -15.61 49.53 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 122.775 2.317 . . . . 0.0 115.342 -177.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -95.13 -12.07 27.1 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.671 1.189 . . . . 0.0 112.977 178.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -59.48 -30.53 68.61 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -174.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.36 -38.18 90.14 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.549 1.14 . . . . 0.0 111.307 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.4 -50.88 23.26 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.427 1.091 . . . . 0.0 110.271 176.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 59.4 t -55.37 -42.99 69.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 123.674 0.79 . . . . 0.0 111.815 178.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 70.9 m -53.76 -39.48 65.41 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -73.36 -17.71 61.25 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.698 1.135 . . . . 0.0 113.124 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 7.5 mt -90.05 -57.36 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.59 1.156 . . . . 0.0 109.212 175.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -151.88 101.32 2.86 Favored Pre-proline 0 CA--C 1.551 1.019 0 C-N-CA 126.828 2.051 . . . . 0.0 111.45 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -74.36 175.14 11.39 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 122.846 2.364 . . . . 0.0 111.109 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -75.1 -18.3 60.29 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.634 -1.291 . . . . 0.0 113.128 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 25.5 p -74.11 -51.07 16.79 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.19 1.796 . . . . 0.0 113.781 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 32.8 m -139.82 157.06 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.68 1.592 . . . . 0.0 112.817 -178.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 42.8 ttm -82.12 62.07 5.69 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.579 1.152 . . . . 0.0 110.502 176.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 65.5 tp -47.57 -29.99 3.27 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.264 2.226 . . . . 0.0 114.326 -177.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.85 -19.55 18.1 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.51 1.124 . . . . 0.0 113.968 176.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.7 p -72.15 -20.02 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.054 0.942 . . . . 0.0 112.803 176.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -126.1 -18.48 5.01 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -178.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -120.53 111.24 17.43 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.581 1.552 . . . . 0.0 110.612 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.0 163.32 31.75 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.291 0.948 . . . . 0.0 114.375 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 38.4 mt -101.8 105.64 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 127.078 2.151 . . . . 0.0 108.28 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -75.01 65.4 1.44 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.464 1.106 . . . . 0.0 113.175 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 38.7 tp -57.96 -7.34 0.74 Allowed 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 127.74 2.416 . . . . 0.0 113.811 177.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 14.5 mt -81.4 -20.21 40.93 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.886 2.074 . . . . 0.0 113.581 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.7 t -74.45 -13.29 60.68 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.277 1.031 . . . . 0.0 113.156 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -68.97 153.89 95.61 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 126.508 1.923 . . . . 0.0 113.361 -178.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -70.88 162.52 42.37 Favored 'Trans proline' 0 CA--C 1.547 1.154 0 C-N-CA 123.246 2.631 . . . . 0.0 112.016 177.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -69.31 -22.58 33.96 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.123 2.549 . . . . 0.0 113.813 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -151.17 153.8 33.19 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 126.185 1.794 . . . . 0.0 110.941 178.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -74.5 -15.44 22.06 Favored 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 123.26 2.64 . . . . 0.0 113.901 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -79.85 71.75 2.68 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 125.636 1.589 . . . . 0.0 113.306 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 90.8 p -70.13 156.86 91.13 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 125.218 1.407 . . . . 0.0 111.538 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -74.02 -9.05 21.85 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 122.628 2.218 . . . . 0.0 114.349 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 . . . . . 0 C--O 1.239 0.537 0 C-N-CA 125.507 1.523 . . . . 0.0 111.854 179.844 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 73.1 m . . . . . 0 CA--C 1.542 0.639 0 CA-C-O 119.267 -0.397 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -64.1 -45.17 10.63 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.819 2.346 . . . . 0.0 112.562 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -59.73 -45.33 92.52 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.592 0.757 . . . . 0.0 111.068 177.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -59.65 -48.92 79.78 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.55 0.74 . . . . 0.0 110.673 175.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 53.3 m -56.3 -46.66 79.7 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.199 0.999 . . . . 0.0 111.698 177.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -61.46 -53.24 59.09 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.721 1.208 . . . . 0.0 111.099 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1770 ' ' ARG . . . . . 0.45 ' NH1' HE22 ' A' 1774 ' ' GLN . 44.4 ttp85 -52.8 -46.58 67.73 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.367 1.467 . . . . 0.0 112.091 178.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.73 -43.23 84.76 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.323 0.649 . . . . 0.0 111.043 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 69.4 m -59.52 -45.99 90.16 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.499 0.72 . . . . 0.0 111.44 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 62.7 mt -54.28 -63.68 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 126.218 1.807 . . . . 0.0 110.282 177.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1774 ' ' GLN . . . . . 0.45 HE22 ' NH1' ' A' 1770 ' ' ARG . 5.5 pt20 -60.61 -35.65 76.67 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -177.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 83.5 mmt-85 -64.94 -53.66 42.93 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.112 0.869 . . . . 0.0 110.538 175.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 33.5 t -61.05 -27.99 68.74 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.559 0.743 . . . . 0.0 112.567 177.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 32.6 mt -65.31 -28.54 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 O-C-N 120.493 -1.38 . . . . 0.0 111.442 175.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -63.54 -44.38 94.38 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.651 -1.28 . . . . 0.0 109.539 174.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 1.5 m -59.88 -42.1 93.01 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.476 1.91 . . . . 0.0 110.79 175.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 5.9 tt -58.58 -56.0 27.74 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.662 1.985 . . . . 0.0 110.429 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 99.2 t -55.58 -51.53 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.718 0.807 . . . . 0.0 110.567 177.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 35.5 t60 -53.07 -56.29 17.32 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.43 0.692 . . . . 0.0 111.434 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -55.67 -31.66 62.57 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 95.6 m -75.54 -14.29 60.4 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 177.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -118.34 -14.8 9.76 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.986 1.314 . . . . 0.0 114.163 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 9.6 t -66.68 121.46 15.45 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.141 1.376 . . . . 0.0 111.663 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -75.3 -8.54 56.91 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.325 1.85 . . . . 0.0 115.462 -177.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 30.3 t30 -137.34 114.25 10.59 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.886 1.221 . . . . 0.0 113.28 -176.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.79 -16.23 26.5 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -91.23 9.02 33.0 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.269 1.828 . . . . 0.0 113.335 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 47.4 t -47.92 138.54 8.77 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.105 2.162 . . . . 0.0 111.714 178.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 81.0 p -72.93 -10.35 59.7 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 115.494 1.665 . . . . 0.0 115.494 -177.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 26.9 tp -74.09 120.24 80.34 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-N 121.016 1.734 . . . . 0.0 112.339 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -49.82 -42.08 45.1 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 123.393 2.729 . . . . 0.0 113.778 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.6 -49.18 78.43 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.307 1.043 . . . . 0.0 112.208 177.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 38.0 t -58.34 -55.24 37.51 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.793 1.637 . . . . 0.0 109.921 177.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -48.89 -55.46 11.69 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.449 1.5 . . . . 0.0 112.799 178.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 89.0 mttt -59.1 -50.35 74.41 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.749 1.22 . . . . 0.0 111.808 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 53.3 tpp -60.0 -42.58 94.56 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.194 1.397 . . . . 0.0 113.245 179.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -49.04 -44.18 41.33 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.049 1.34 . . . . 0.0 113.152 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -57.16 -47.95 79.92 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.72 0.808 . . . . 0.0 111.845 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 5.1 t -69.49 -40.31 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.387 1.075 . . . . 0.0 111.74 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 54.1 t -59.49 -44.97 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.046 0.939 . . . . 0.0 109.947 175.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -66.47 -29.65 69.81 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.229 1.011 . . . . 0.0 112.281 176.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 10.6 t60 -71.56 -62.36 1.44 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.92 0.888 . . . . 0.0 110.669 176.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 5.3 t -54.75 -33.85 61.74 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -175.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -71.62 -10.04 59.16 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 178.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -137.58 1.62 2.96 Favored Glycine 0 CA--C 1.538 1.498 0 N-CA-C 117.046 1.578 . . . . 0.0 117.046 -177.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 46.2 t -58.78 141.58 52.61 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.356 1.578 . . . . 0.0 113.091 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -82.25 -8.45 59.64 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.296 1.839 . . . . 0.0 112.775 179.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 72.2 mtt-85 -117.82 -57.09 2.14 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.623 1.969 . . . . 0.0 112.138 178.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1812 ' ' LYS . . . . . . . . . . . . 0.354 53.7 pttt 52.78 -168.56 0.05 OUTLIER 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.976 2.11 . . . . 0.0 112.719 -169.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 60.0 p -49.55 -52.95 26.35 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.097 1.359 . . . . 0.0 113.843 -177.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -66.95 -18.31 65.32 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -94.01 2.46 69.08 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 125.583 1.563 . . . . 0.0 113.516 177.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 85.15 6.94 84.0 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 125.657 1.599 . . . . 0.0 115.841 178.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 45.2 t -66.55 118.74 56.94 Favored Pre-proline 0 CA--C 1.555 1.162 0 CA-C-N 119.117 1.458 . . . . 0.0 111.088 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.58 -32.66 14.8 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.878 2.386 . . . . 0.0 113.666 -177.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 47.2 t -54.13 -60.13 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.057 1.343 . . . . 0.0 110.273 179.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 36.4 m -56.22 -45.52 79.89 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.538 1.535 . . . . 0.0 110.891 177.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -45.26 71.11 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 117.466 -1.254 . . . . 0.0 112.913 178.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -58.79 -55.14 38.9 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 120.568 1.531 . . . . 0.0 111.974 177.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 15.9 tp -62.34 -48.25 80.62 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.004 0.922 . . . . 0.0 112.015 -179.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 45.9 mm -64.11 -36.19 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 O-C-N 121.066 -1.021 . . . . 0.0 111.488 177.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -59.91 -47.06 87.32 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 120.48 1.491 . . . . 0.0 111.309 175.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 7.3 mp -62.27 -40.67 97.01 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.344 0.657 . . . . 0.0 110.664 175.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 24.4 t -60.61 -40.26 91.2 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.687 -0.633 . . . . 0.0 111.159 174.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 96.3 m -62.46 -46.9 86.42 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.242 -0.911 . . . . 0.0 110.977 175.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 36.6 t80 -58.89 -42.31 89.23 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.53 0.732 . . . . 0.0 111.171 176.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 36.2 t60 -60.19 -59.85 4.76 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.147 0.979 . . . . 0.0 110.052 175.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -53.32 -33.46 53.48 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.058 1.743 . . . . 0.0 114.462 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -56.23 -46.58 79.5 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.84 1.656 . . . . 0.0 111.167 177.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 43.0 m80 -90.23 -24.53 20.95 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.443 1.897 . . . . 0.0 114.413 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1834 ' ' CYS . . . . . 0.439 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 8.9 t -63.98 160.41 17.91 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.441 1.496 . . . . 0.0 113.256 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -148.16 -4.19 0.48 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.812 1.645 . . . . 0.0 115.199 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -75.17 116.74 16.23 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.778 -1.201 . . . . 0.0 111.403 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 39.7 t30 -61.32 -17.16 52.42 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 -178.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -133.8 40.0 3.12 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 127.045 2.138 . . . . 0.0 112.633 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 19.2 t -51.93 137.06 36.45 Favored Pre-proline 0 CA--C 1.558 1.264 0 C-N-CA 126.062 1.745 . . . . 0.0 111.701 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -64.51 -21.72 65.81 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.468 2.779 . . . . 0.0 114.942 -177.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 98.9 t -69.82 122.63 86.57 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 124.331 1.052 . . . . 0.0 108.938 177.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -64.58 -45.75 8.38 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.856 2.37 . . . . 0.0 114.551 -175.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -74.3 -25.52 59.63 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.917 1.081 . . . . 0.0 113.917 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 49.4 t -46.26 -64.7 0.69 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.501 1.92 . . . . 0.0 112.183 -178.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 60.0 mt -53.93 -36.86 63.23 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.258 1.423 . . . . 0.0 113.396 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 53.9 t30 -65.04 -46.61 80.55 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.645 0.657 . . . . 0.0 110.296 175.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 10.2 mm -58.13 -48.12 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-O 118.798 -0.62 . . . . 0.0 110.076 176.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1848 ' ' LYS . . . . . 0.439 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 69.9 mttt -52.58 -48.24 66.34 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.465 1.029 . . . . 0.0 111.237 176.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 58.0 t60 -58.03 -48.28 80.56 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.095 0.958 . . . . 0.0 111.553 178.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 10.3 mptt -57.56 -48.12 80.21 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.704 1.602 . . . . 0.0 111.019 175.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 5.3 mp -56.35 -45.22 80.53 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.712 1.605 . . . . 0.0 111.746 176.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -59.93 -27.25 66.6 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.888 0.875 . . . . 0.0 113.274 178.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -69.09 -31.86 70.88 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.085 0.857 . . . . 0.0 111.367 175.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -76.0 -44.33 40.08 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.832 1.253 . . . . 0.0 110.766 176.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 . . . . . 0 CA--C 1.538 0.504 0 C-N-CA 125.882 1.673 . . . . 0.0 111.251 178.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 N--CA 1.468 0.453 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -63.83 -16.07 60.38 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.633 1.573 . . . . 0.0 114.444 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 21.5 ptt? -71.01 12.43 0.29 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 129.173 2.989 . . . . 0.0 116.28 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.27 136.04 91.28 Favored Pre-proline 0 CA--C 1.549 0.938 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 -175.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -82.55 -119.62 0.01 OUTLIER 'Trans proline' 0 CA--C 1.551 1.354 0 C-N-CA 124.296 3.33 . . . . 0.0 108.179 173.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -151.88 166.77 30.43 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.354 1.462 . . . . 0.0 111.64 175.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -155.48 150.23 20.37 Favored Pre-proline 0 CA--C 1.544 0.747 0 C-N-CA 126.628 1.971 . . . . 0.0 110.004 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -72.46 -13.38 27.68 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 122.372 2.048 . . . . 0.0 114.509 -176.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -83.01 -28.07 29.92 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -59.56 -29.21 67.77 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.406 1.082 . . . . 0.0 112.969 -177.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -62.37 -42.03 99.09 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.208 1.803 . . . . 0.0 110.84 176.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.13 -47.37 44.73 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.44 1.096 . . . . 0.0 110.526 174.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 83.5 t -52.94 -47.58 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.257 1.023 . . . . 0.0 110.997 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 69.0 m -50.62 -43.12 56.78 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.62 1.568 . . . . 0.0 114.968 -178.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -75.24 -13.66 60.46 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 14.1 mt -90.14 -52.67 10.27 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 C-N-CA 125.44 1.496 . . . . 0.0 108.338 173.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -158.03 110.21 1.75 Allowed Pre-proline 0 CA--C 1.554 1.106 0 C-N-CA 129.352 3.061 . . . . 0.0 112.709 176.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -79.78 175.76 10.19 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 123.12 2.547 . . . . 0.0 111.335 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -77.9 -27.25 49.53 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 120.864 -1.148 . . . . 0.0 113.002 178.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 17.6 m -66.56 -42.12 87.56 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.508 1.523 . . . . 0.0 114.698 -177.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 27.9 m -145.16 155.29 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.391 1.476 . . . . 0.0 112.273 -178.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 91.1 mmm -80.29 65.13 5.34 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.084 0.954 . . . . 0.0 110.821 175.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 42.2 tp -53.04 -25.55 12.88 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.718 1.607 . . . . 0.0 112.109 177.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.37 -30.09 17.69 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.486 1.914 . . . . 0.0 114.247 176.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 2.5 p -73.97 -8.89 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -133.53 12.83 4.12 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.182 1.793 . . . . 0.0 113.977 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -135.98 159.69 40.91 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.354 1.462 . . . . 0.0 112.142 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -142.18 171.56 24.54 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.638 1.589 . . . . 0.0 113.312 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 29.9 mm -118.95 127.93 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 126.024 1.73 . . . . 0.0 112.046 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -76.96 65.56 2.65 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.595 1.958 . . . . 0.0 110.857 175.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 62.0 tp -54.89 -25.96 32.56 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.631 1.572 . . . . 0.0 112.58 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 16.8 mt -51.73 -20.67 2.24 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 128.759 2.823 . . . . 0.0 113.297 177.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.5 t -67.56 -10.12 48.91 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.567 1.947 . . . . 0.0 114.596 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -60.39 157.26 36.19 Favored Pre-proline 0 CA--C 1.553 1.061 0 C-N-CA 125.212 1.405 . . . . 0.0 113.665 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -67.3 119.6 6.62 Favored 'Trans proline' 0 CA--C 1.548 1.213 0 C-N-CA 123.218 2.612 . . . . 0.0 111.125 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -73.06 -10.41 24.5 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 123.503 2.802 . . . . 0.0 115.698 -176.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.78 141.43 85.13 Favored Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 124.322 1.049 . . . . 0.0 112.827 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -73.99 -16.72 22.82 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 123.478 2.785 . . . . 0.0 114.291 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 179.92 -177.4 48.05 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.389 1.471 . . . . 0.0 112.984 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 43.0 m -67.27 151.35 97.23 Favored Pre-proline 0 CA--C 1.544 0.72 0 C-N-CA 124.986 1.314 . . . . 0.0 111.428 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -74.74 -18.21 19.61 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 122.659 2.239 . . . . 0.0 114.86 -178.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 . . . . . 0 N--CA 1.476 0.853 0 C-N-CA 127.232 2.213 . . . . 0.0 113.92 -179.89 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 26.1 t . . . . . 0 CA--C 1.539 0.556 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -54.92 -26.3 48.15 Favored 'Trans proline' 0 CA--C 1.542 0.881 0 C-N-CA 123.008 2.472 . . . . 0.0 112.901 174.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -60.44 -26.37 66.68 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.038 1.735 . . . . 0.0 112.493 176.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -56.14 -50.26 71.62 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.256 0.935 . . . . 0.0 111.496 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 47.3 m -58.42 -39.94 81.13 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.716 0.806 . . . . 0.0 112.55 178.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -70.39 -48.57 55.59 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.654 1.182 . . . . 0.0 110.979 178.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -60.52 -31.81 70.87 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.317 1.847 . . . . 0.0 111.998 175.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 41.2 mt -75.83 -43.48 45.78 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.341 1.056 . . . . 0.0 110.4 174.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 59.5 m -62.85 -47.02 85.2 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.233 -0.917 . . . . 0.0 112.725 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 19.6 tt -57.32 -51.36 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 O-C-N 121.135 -0.978 . . . . 0.0 111.572 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -64.55 -33.1 75.11 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.078 0.853 . . . . 0.0 112.868 178.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -66.08 -51.23 60.03 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.17 0.988 . . . . 0.0 110.82 175.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1776 ' ' CYS . . . . . 0.407 ' HG ' HD11 ' B' ' 65' ' ' ILE . 37.1 t -57.24 -37.0 71.63 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 119.032 0.833 . . . . 0.0 111.145 175.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 35.4 mt -60.86 -27.35 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 C-N-CA 124.334 1.054 . . . . 0.0 112.629 175.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -65.2 -45.79 83.34 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.506 1.503 . . . . 0.0 109.826 173.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 16.4 m -58.69 -40.35 83.37 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.065 1.346 . . . . 0.0 111.115 174.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 62.3 tp -59.52 -53.21 60.71 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.97 1.308 . . . . 0.0 110.669 175.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 83.0 t -55.67 -50.79 65.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.652 177.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 36.3 t60 -52.63 -57.71 9.17 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.986 0.812 . . . . 0.0 111.126 178.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.66 -28.53 63.84 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 85.4 m -77.66 -16.29 58.62 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 176.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -114.49 -16.42 11.91 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 10.2 t -64.16 130.06 42.43 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.979 1.712 . . . . 0.0 111.926 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.94 -10.68 59.8 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.744 1.618 . . . . 0.0 115.123 -177.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 33.4 t30 -136.77 113.51 10.29 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.434 1.094 . . . . 0.0 113.324 -175.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -57.68 -17.31 14.21 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 177.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -87.52 -1.15 57.74 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.438 1.495 . . . . 0.0 113.917 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 52.3 t -46.85 113.06 0.59 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 127.191 2.196 . . . . 0.0 111.378 178.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 91.9 p -67.34 -3.36 7.94 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 116.705 2.113 . . . . 0.0 116.705 -173.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 19.1 tp -61.71 122.32 70.56 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.306 1.443 . . . . 0.0 110.369 178.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -47.92 -40.86 32.94 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.534 2.823 . . . . 0.0 114.681 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 23.6 m -59.11 -53.21 60.88 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.161 1.385 . . . . 0.0 111.839 176.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 5.4 t -61.21 -53.68 53.87 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.286 1.834 . . . . 0.0 110.344 178.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -44.91 -60.4 2.07 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.4 1.88 . . . . 0.0 112.109 176.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 89.2 mttt -57.43 -56.74 18.0 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.1 0.96 . . . . 0.0 111.272 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 45.5 tpp -56.16 -39.11 71.81 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.677 1.191 . . . . 0.0 113.953 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -53.38 -41.12 65.57 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.055 -1.028 . . . . 0.0 113.02 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -56.93 -51.76 67.89 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 119.338 0.972 . . . . 0.0 111.971 178.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 30.5 m -71.72 -32.23 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 24.3 t -62.22 -46.79 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 O-C-N 121.19 -0.944 . . . . 0.0 109.838 174.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -62.98 -25.61 68.45 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.243 1.017 . . . . 0.0 112.366 175.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 13.2 t60 -71.67 -64.69 0.88 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.919 0.888 . . . . 0.0 110.765 175.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 14.9 t -54.06 -35.34 61.93 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -175.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -70.93 -11.65 61.09 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.911 1.448 . . . . 0.0 114.911 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -128.22 -10.49 3.39 Favored Glycine 0 CA--C 1.541 1.667 0 C-N-CA 125.277 1.418 . . . . 0.0 116.337 -178.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 45.9 t -57.69 131.82 51.4 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 119.189 1.494 . . . . 0.0 112.102 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -81.61 -6.5 59.06 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.034 1.734 . . . . 0.0 114.823 -176.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -127.66 -36.8 2.02 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 28.8 mtmm 48.93 -159.85 0.05 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.69 1.996 . . . . 0.0 113.699 -178.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 37.7 p -58.22 -30.06 66.2 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.889 1.275 . . . . 0.0 112.69 176.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 35.4 t30 -59.2 -41.49 88.67 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.816 1.246 . . . . 0.0 111.613 176.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -90.02 -2.53 74.55 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 125.524 1.535 . . . . 0.0 113.813 175.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 88.12 19.0 54.7 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 125.802 1.668 . . . . 0.0 116.094 177.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 8.0 t -57.36 114.47 8.29 Favored Pre-proline 0 CA--C 1.554 1.109 0 CA-C-N 119.109 1.454 . . . . 0.0 113.161 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.83 -41.95 72.13 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 124.0 3.133 . . . . 0.0 114.701 -178.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 31.8 t -58.5 -54.63 30.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 124.115 0.966 . . . . 0.0 110.45 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 34.0 m -59.01 -45.77 89.85 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.431 1.492 . . . . 0.0 110.405 177.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1821 ' ' LYS . . . . . 0.432 ' O ' ' HE2' ' A' 1821 ' ' LYS . 0.0 OUTLIER -54.63 -47.67 73.18 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.394 1.078 . . . . 0.0 110.597 176.39 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -54.74 -49.2 71.39 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.051 0.841 . . . . 0.0 111.472 176.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 28.5 mt -64.39 -43.44 94.46 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 119.162 -0.447 . . . . 0.0 111.887 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 27.4 mm -66.1 -35.2 74.46 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 119.072 0.851 . . . . 0.0 111.291 175.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -61.3 -54.31 45.52 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.682 1.193 . . . . 0.0 111.256 176.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 8.6 mp -64.26 -38.36 90.78 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.25 0.62 . . . . 0.0 111.034 177.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 42.8 t -60.68 -44.6 96.29 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.603 -0.686 . . . . 0.0 111.072 174.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 42.1 t -58.37 -51.23 70.67 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.211 1.004 . . . . 0.0 110.554 176.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 29.8 t80 -56.31 -45.61 80.19 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.528 0.731 . . . . 0.0 111.4 176.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 42.6 t60 -58.66 -60.02 4.48 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.876 0.87 . . . . 0.0 110.556 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -55.58 -30.24 60.5 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.172 1.789 . . . . 0.0 114.589 -178.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -57.37 -45.36 84.52 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.578 1.551 . . . . 0.0 110.764 176.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 43.7 m80 -89.87 -29.74 18.37 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.649 1.98 . . . . 0.0 114.371 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 26.8 t -64.18 155.55 31.37 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.601 1.561 . . . . 0.0 113.721 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -143.56 1.48 1.19 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 127.397 2.279 . . . . 0.0 113.497 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.49 122.34 19.49 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 120.389 -1.444 . . . . 0.0 111.366 -178.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 33.6 t30 -64.64 -25.64 68.04 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -129.73 35.08 4.22 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.347 2.259 . . . . 0.0 112.243 -178.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 7.2 t -45.43 131.99 6.1 Favored Pre-proline 0 CA--C 1.555 1.143 0 C-N-CA 126.367 1.867 . . . . 0.0 112.787 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -64.39 -23.19 65.44 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.285 2.657 . . . . 0.0 115.102 -177.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 88.6 t -66.54 115.89 28.8 Favored Pre-proline 0 N--CA 1.476 0.873 0 C-N-CA 124.853 1.261 . . . . 0.0 109.615 177.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -48.2 -52.27 8.62 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 124.351 3.367 . . . . 0.0 116.383 -176.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -80.74 -20.07 43.58 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -177.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 42.0 t -48.0 -63.09 1.16 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.419 1.487 . . . . 0.0 112.46 -177.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 58.2 mt -54.57 -36.02 63.92 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.325 1.05 . . . . 0.0 113.465 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 54.3 t30 -64.53 -46.73 81.6 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.869 0.759 . . . . 0.0 109.987 175.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 8.5 mm -59.25 -50.03 81.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 175.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -54.21 -44.37 71.57 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 119.284 0.947 . . . . 0.0 111.599 177.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 59.6 t60 -60.41 -48.48 81.56 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.031 0.932 . . . . 0.0 111.323 177.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 9.4 mptt -57.56 -46.26 84.17 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.785 1.634 . . . . 0.0 111.14 175.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 6.5 mp -58.93 -40.43 84.55 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.156 1.382 . . . . 0.0 112.076 176.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 54.0 mmm-85 -64.92 -15.62 62.29 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 176.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -80.83 -6.31 58.41 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.325 0.966 . . . . 0.0 113.396 177.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -131.04 177.03 7.76 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.202 1.801 . . . . 0.0 112.583 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 11.8 pt20 . . . . . 0 N--CA 1.472 0.662 0 C-N-CA 124.739 1.216 . . . . 0.0 113.22 179.396 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 43.2 m . . . . . 0 N--CA 1.47 0.569 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -67.83 -17.66 64.58 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.419 1.488 . . . . 0.0 114.101 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -147.4 163.19 37.26 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.391 1.877 . . . . 0.0 111.618 178.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.53 141.1 92.77 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 124.139 0.975 . . . . 0.0 112.207 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -72.24 -62.63 0.04 OUTLIER 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 123.362 2.708 . . . . 0.0 112.32 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -163.39 176.1 10.16 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 128.26 2.624 . . . . 0.0 110.218 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -145.25 117.86 5.31 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 125.101 1.36 . . . . 0.0 109.432 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -49.68 -30.86 23.5 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 123.734 2.956 . . . . 0.0 115.988 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -72.68 -20.47 61.23 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.49 1.116 . . . . 0.0 113.519 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -58.7 -33.84 70.62 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -175.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.25 -35.56 79.32 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.549 1.139 . . . . 0.0 111.437 178.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.23 -19.86 59.54 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.996 0.919 . . . . 0.0 112.811 176.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 17.0 t -79.06 -50.48 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 123.64 0.776 . . . . 0.0 109.117 175.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 72.9 m -47.26 -45.85 24.12 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.071 1.748 . . . . 0.0 115.601 -178.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -61.27 -25.39 67.06 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . 0.407 HD11 ' HG ' ' A' 1776 ' ' CYS . 7.1 mt -90.13 -53.9 8.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 C-N-CA 126.456 1.902 . . . . 0.0 108.505 177.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -157.41 114.11 1.89 Allowed Pre-proline 0 CA--C 1.554 1.114 0 C-N-CA 127.058 2.143 . . . . 0.0 111.772 177.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -77.24 175.83 10.86 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 123.104 2.536 . . . . 0.0 112.167 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -75.13 -20.5 59.37 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.968 -1.083 . . . . 0.0 113.062 178.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 31.4 p -71.1 -46.91 60.82 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.015 1.726 . . . . 0.0 113.92 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 33.5 m -139.74 149.83 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.519 1.528 . . . . 0.0 112.106 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 83.5 mtp -79.85 65.2 4.94 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.89 0.876 . . . . 0.0 111.077 176.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 10.6 tp -57.06 -17.01 8.57 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.429 1.492 . . . . 0.0 112.888 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.75 -29.31 11.12 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.803 2.041 . . . . 0.0 113.447 174.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 4.1 p -73.99 -8.73 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.005 1.322 . . . . 0.0 113.652 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -134.6 -25.37 1.48 Allowed 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -74.79 156.7 36.25 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.494 1.117 . . . . 0.0 112.522 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -124.23 155.88 18.19 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.997 1.761 . . . . 0.0 112.471 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 53.2 mt -128.33 121.81 56.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.26 1.424 . . . . 0.0 110.764 -176.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -80.86 65.57 6.05 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.572 1.549 . . . . 0.0 111.55 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -47.25 -32.51 4.64 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.124 2.17 . . . . 0.0 112.613 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 47.6 mt -54.47 -13.95 1.11 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 127.985 2.514 . . . . 0.0 114.418 177.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.3 t -63.28 -12.57 30.22 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.933 2.093 . . . . 0.0 114.773 177.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -60.02 159.88 18.72 Favored Pre-proline 0 CA--C 1.556 1.181 0 C-N-CA 125.382 1.473 . . . . 0.0 112.193 178.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -63.05 116.68 3.72 Favored 'Trans proline' 0 CA--C 1.549 1.249 0 C-N-CA 123.005 2.47 . . . . 0.0 112.144 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -76.51 177.27 9.02 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.79 2.994 . . . . 0.0 113.374 -177.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -138.14 155.92 74.12 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 126.103 1.761 . . . . 0.0 111.61 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -74.04 -4.12 14.9 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 123.806 3.004 . . . . 0.0 114.998 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -71.83 -5.0 60.16 Favored Glycine 0 CA--C 1.539 1.583 0 N-CA-C 116.611 1.404 . . . . 0.0 116.611 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 58.7 m -66.77 147.85 98.93 Favored Pre-proline 0 N--CA 1.472 0.628 0 CA-C-N 119.229 1.514 . . . . 0.0 111.687 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -75.36 -11.14 20.85 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 122.706 2.271 . . . . 0.0 113.954 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 N--CA 1.471 0.591 0 C-N-CA 126.734 2.013 . . . . 0.0 112.518 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 12.5 t . . . . . 0 CA--C 1.541 0.603 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -66.41 -33.62 37.24 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 122.874 2.383 . . . . 0.0 111.663 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -67.47 -48.56 66.81 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.532 1.133 . . . . 0.0 109.869 176.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -61.91 -44.86 95.91 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.244 0.618 . . . . 0.0 111.477 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 64.0 m -55.23 -45.18 75.97 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.763 0.825 . . . . 0.0 111.244 177.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 75.7 mtt85 -66.88 -47.13 72.8 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.784 1.234 . . . . 0.0 111.481 176.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 43.8 ttm105 -54.53 -43.95 72.39 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.441 1.497 . . . . 0.0 111.812 176.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.7 mp -67.94 -46.6 71.03 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.055 1.342 . . . . 0.0 110.939 176.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 74.0 m -58.06 -46.42 85.44 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.507 0.723 . . . . 0.0 111.412 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 34.3 mt -56.03 -61.23 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 126.672 1.989 . . . . 0.0 110.477 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -60.97 -38.33 85.57 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -177.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 19.3 mmt85 -61.49 -52.18 65.58 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.974 0.909 . . . . 0.0 110.15 175.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 37.3 t -55.9 -41.15 74.06 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.639 0.775 . . . . 0.0 111.068 175.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 53.6 mt -62.01 -32.77 55.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 O-C-N 121.134 -0.979 . . . . 0.0 112.823 176.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -62.32 -44.27 96.9 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.766 1.621 . . . . 0.0 110.076 174.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 22.0 m -63.38 -39.18 93.83 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.019 1.328 . . . . 0.0 111.796 176.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.27 -51.69 68.47 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.518 1.527 . . . . 0.0 110.072 176.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 80.9 t -56.42 -50.06 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.133 176.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 19.2 t60 -51.5 -59.41 4.28 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.951 0.796 . . . . 0.0 110.731 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.27 -26.44 60.82 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 91.6 m -81.9 -13.54 57.41 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 176.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -120.04 -13.93 8.94 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 14.7 t -58.25 123.97 17.86 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.202 1.801 . . . . 0.0 111.661 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -73.82 -7.06 50.74 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.767 2.027 . . . . 0.0 116.366 -176.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 27.3 t30 -140.23 114.99 9.53 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.598 1.159 . . . . 0.0 112.465 -176.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.95 -15.07 19.08 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 177.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -95.45 10.15 37.48 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 126.678 1.991 . . . . 0.0 113.672 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 46.5 t -44.52 137.37 3.78 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 127.369 2.267 . . . . 0.0 113.899 -178.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 20.2 m -78.82 -9.77 59.57 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.544 1.537 . . . . 0.0 114.928 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 1.7 tm? -70.55 115.67 37.56 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 126.063 1.745 . . . . 0.0 109.721 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -48.69 -41.31 38.12 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.505 2.804 . . . . 0.0 115.04 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 2.4 m -68.49 -35.9 78.16 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.399 0.68 . . . . 0.0 112.753 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 26.0 t -63.63 -51.22 66.17 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.133 1.373 . . . . 0.0 108.421 175.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -53.01 -48.82 67.25 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.948 1.299 . . . . 0.0 111.509 175.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 87.5 mttt -57.12 -51.4 69.46 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.863 1.265 . . . . 0.0 111.27 175.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -41.93 75.35 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.063 0.945 . . . . 0.0 112.741 177.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -52.45 -30.78 31.39 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 117.639 -1.172 . . . . 0.0 113.469 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -63.51 -59.74 4.26 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 119.994 1.27 . . . . 0.0 111.17 175.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 35.9 m -65.01 -32.95 60.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 53.6 t -62.85 -46.98 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.113 0.965 . . . . 0.0 109.611 174.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.06 -30.17 70.8 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.593 1.157 . . . . 0.0 111.87 175.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 9.4 t60 -71.28 -65.65 0.72 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.059 0.944 . . . . 0.0 111.082 177.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 7.3 t -54.75 -33.64 61.5 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -175.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -70.13 -11.96 61.26 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 177.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -135.61 -0.13 3.32 Favored Glycine 0 CA--C 1.538 1.476 0 N-CA-C 116.862 1.505 . . . . 0.0 116.862 -177.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 44.2 t -57.28 130.05 44.49 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.564 1.682 . . . . 0.0 112.717 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -74.91 -10.44 59.5 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.872 1.669 . . . . 0.0 114.339 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -130.3 -33.04 1.73 Allowed 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -178.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1812 ' ' LYS . . . . . 0.417 ' HG2' ' H ' ' A' 1813 ' ' THR . 21.6 tttp 51.9 -161.74 0.09 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.361 1.864 . . . . 0.0 113.123 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1813 ' ' THR . . . . . 0.417 ' H ' ' HG2' ' A' 1812 ' ' LYS . 17.6 p -60.44 -28.4 68.27 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.494 -1.379 . . . . 0.0 112.452 175.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 33.9 t30 -58.59 -42.69 88.65 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.963 1.305 . . . . 0.0 111.623 176.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -89.22 -3.71 75.35 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 125.178 1.37 . . . . 0.0 114.028 176.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 88.26 22.15 42.3 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 125.532 1.539 . . . . 0.0 115.907 177.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 8.0 t -57.77 122.88 60.08 Favored Pre-proline 0 CA--C 1.554 1.12 0 CA-C-N 118.799 1.299 . . . . 0.0 112.947 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.69 -44.11 48.44 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 123.257 2.638 . . . . 0.0 114.491 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 11.8 t -60.58 -56.13 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 123.852 0.861 . . . . 0.0 110.761 -177.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 17.4 m -53.81 -49.77 67.62 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 126.178 1.791 . . . . 0.0 110.018 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.81 -48.73 77.3 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 118.894 0.77 . . . . 0.0 111.429 176.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -59.83 -44.07 94.23 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.858 0.863 . . . . 0.0 112.232 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 7.7 mt -62.44 -54.05 45.87 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.723 0.692 . . . . 0.0 110.479 175.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 36.3 mm -55.71 -38.79 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 124.033 0.933 . . . . 0.0 111.818 178.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -57.71 -52.77 64.07 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.757 1.162 . . . . 0.0 111.334 176.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.75 -45.44 89.83 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.831 1.252 . . . . 0.0 111.55 177.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 99.2 m -58.44 -39.35 79.59 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.897 0.771 . . . . 0.0 111.216 174.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 49.8 t -67.46 -48.04 68.38 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.406 1.083 . . . . 0.0 111.297 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 5.7 t80 -58.19 -40.46 81.6 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.402 0.546 . . . . 0.0 110.749 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 39.9 t60 -61.26 -58.59 7.68 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.061 0.944 . . . . 0.0 110.078 173.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -52.5 -33.71 46.24 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.815 1.646 . . . . 0.0 114.297 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -54.6 -48.76 71.78 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.357 1.863 . . . . 0.0 111.121 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -90.24 -21.13 22.27 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.875 1.67 . . . . 0.0 114.875 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 6.7 t -63.94 165.02 9.39 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.629 1.171 . . . . 0.0 113.964 -178.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -151.59 -6.65 0.24 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.258 1.823 . . . . 0.0 115.393 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -72.63 122.49 21.5 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.753 -1.217 . . . . 0.0 112.164 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 35.1 t30 -64.74 -17.86 64.52 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -136.28 42.67 2.54 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.947 2.099 . . . . 0.0 112.324 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 10.7 t -53.46 136.46 52.02 Favored Pre-proline 0 CA--C 1.559 1.29 0 C-N-CA 125.438 1.495 . . . . 0.0 111.791 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -64.27 -25.14 64.67 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 123.309 2.673 . . . . 0.0 114.841 -177.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 91.0 t -68.2 118.53 59.98 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 124.392 1.077 . . . . 0.0 108.744 177.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -65.24 -36.14 37.7 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.687 2.258 . . . . 0.0 114.1 -175.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -76.51 -29.34 56.74 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 44.4 t -48.85 -64.97 0.65 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.691 1.596 . . . . 0.0 111.393 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 1.3 mp -50.49 -42.88 55.25 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 126.244 1.818 . . . . 0.0 113.347 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -62.39 -48.78 78.23 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.718 0.807 . . . . 0.0 110.38 177.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 8.3 mm -58.49 -45.16 90.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-O 118.338 -0.839 . . . . 0.0 110.794 175.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 65.3 mttt -51.65 -45.37 63.33 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-N 120.147 1.339 . . . . 0.0 111.62 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 50.7 t60 -59.76 -50.86 72.16 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.403 0.681 . . . . 0.0 110.941 176.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 14.2 mptt -56.34 -42.1 77.15 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.917 0.887 . . . . 0.0 111.759 176.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.6 mp -61.28 -42.54 98.81 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.597 1.559 . . . . 0.0 112.072 176.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -71.61 -30.23 65.56 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 176.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -67.85 -11.69 59.11 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.67 1.188 . . . . 0.0 113.72 179.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -66.28 -14.62 62.28 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.036 1.335 . . . . 0.0 113.625 177.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 15.4 pt20 . . . . . 0 CA--C 1.54 0.576 0 C-N-CA 126.282 1.833 . . . . 0.0 113.056 179.931 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 80.6 p . . . . . 0 N--CA 1.472 0.672 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -61.57 139.44 58.26 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.388 1.475 . . . . 0.0 112.275 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 64.1 mtt -97.21 16.1 20.83 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.658 1.583 . . . . 0.0 114.319 -177.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -139.18 162.42 52.17 Favored Pre-proline 0 CA--C 1.541 0.63 0 C-N-CA 127.082 2.153 . . . . 0.0 111.577 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -77.14 -179.65 5.63 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 124.495 3.463 . . . . 0.0 106.477 169.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -118.07 166.41 12.58 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 124.364 1.066 . . . . 0.0 110.479 174.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -150.44 133.62 8.63 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 124.526 1.13 . . . . 0.0 110.22 -178.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -65.8 -14.61 45.47 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 122.832 2.355 . . . . 0.0 115.254 -176.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -90.45 -16.98 27.96 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.992 0.917 . . . . 0.0 113.251 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -57.96 -32.15 67.56 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -174.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -64.91 -48.04 75.6 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.996 1.318 . . . . 0.0 111.103 177.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.12 -24.53 67.45 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.307 1.043 . . . . 0.0 113.079 177.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 64.1 t -80.98 -48.61 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.724 1.21 . . . . 0.0 109.783 175.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 12.2 t -46.14 -46.34 17.12 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.72 2.008 . . . . 0.0 114.409 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -62.44 -24.71 67.58 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 178.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 11.3 mt -90.03 -53.08 9.73 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 127.135 2.174 . . . . 0.0 108.524 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -155.08 108.61 2.28 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 127.47 2.308 . . . . 0.0 111.786 176.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -79.21 177.92 8.06 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 122.998 2.465 . . . . 0.0 111.396 177.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -75.22 -30.12 60.48 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -177.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 23.5 m -71.61 -39.92 70.14 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -176.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.9 m -143.49 157.3 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.834 1.254 . . . . 0.0 113.0 -177.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 51.1 ttm -80.46 66.69 6.05 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.388 1.075 . . . . 0.0 110.336 175.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 40.5 tp -58.41 -21.85 52.13 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.65 1.18 . . . . 0.0 112.858 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.37 -40.37 49.31 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.114 1.366 . . . . 0.0 114.188 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 35.0 m -67.17 -8.97 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 CA-C-N 120.642 1.564 . . . . 0.0 113.477 177.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -116.59 3.88 13.15 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 128.099 2.559 . . . . 0.0 112.713 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -130.79 174.44 9.96 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.772 1.629 . . . . 0.0 113.12 -173.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.62 162.99 31.92 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 126.023 1.773 . . . . 0.0 112.295 177.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 66.7 mt -123.08 115.12 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 125.873 1.669 . . . . 0.0 108.785 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -77.99 56.85 1.66 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.341 1.056 . . . . 0.0 112.754 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 10.5 tt -52.21 -30.55 27.81 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.938 1.295 . . . . 0.0 112.419 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 48.1 mt -47.86 -21.34 0.4 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 128.735 2.814 . . . . 0.0 114.261 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.1 t -63.08 -20.07 65.0 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.095 1.758 . . . . 0.0 113.39 175.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -56.48 151.02 31.23 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 125.383 1.473 . . . . 0.0 114.07 -178.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -69.93 164.12 35.88 Favored 'Trans proline' 0 CA--C 1.549 1.255 0 C-N-CA 123.196 2.597 . . . . 0.0 112.688 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -51.41 -30.28 34.05 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 124.262 3.308 . . . . 0.0 116.289 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -147.9 153.46 42.33 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 125.737 1.615 . . . . 0.0 111.241 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -72.48 -10.15 25.03 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 123.574 2.85 . . . . 0.0 114.205 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.66 -179.83 42.93 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 126.552 2.025 . . . . 0.0 111.951 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 50.3 m -57.25 116.89 15.05 Favored Pre-proline 0 N--CA 1.473 0.717 0 C-N-CA 125.281 1.432 . . . . 0.0 112.107 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -75.07 -14.85 20.88 Favored 'Trans proline' 0 CA--C 1.543 0.935 0 C-N-CA 123.034 2.489 . . . . 0.0 114.336 -178.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 N--CA 1.472 0.636 0 C-N-CA 125.299 1.439 . . . . 0.0 112.409 179.746 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 C--O 1.24 0.592 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -67.28 -29.14 39.15 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.893 2.395 . . . . 0.0 111.742 177.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -74.4 -44.42 52.12 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.954 0.902 . . . . 0.0 110.432 176.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.54 -55.88 23.19 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.866 0.867 . . . . 0.0 111.657 178.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 45.3 p -54.84 -41.28 70.53 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.372 0.669 . . . . 0.0 112.4 178.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -60.9 -55.05 37.61 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.975 1.71 . . . . 0.0 111.245 175.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -59.43 -32.82 70.55 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.907 1.683 . . . . 0.0 112.66 178.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.5 mp -74.88 -46.39 36.51 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.915 0.886 . . . . 0.0 110.332 175.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 59.0 m -61.67 -47.67 84.26 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.636 0.774 . . . . 0.0 112.657 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 16.6 tt -57.07 -49.96 77.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.744 0.818 . . . . 0.0 111.498 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -66.5 -41.98 88.09 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.063 0.847 . . . . 0.0 112.484 178.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 72.2 mmt-85 -57.07 -46.53 82.43 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.465 1.03 . . . . 0.0 111.572 176.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 42.9 t -61.96 -40.93 97.26 Favored 'General case' 0 CA--C 1.543 0.712 0 O-C-N 122.014 -0.429 . . . . 0.0 110.74 174.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 45.0 mt -60.71 -36.65 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.091 0.956 . . . . 0.0 112.483 176.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -58.01 -45.67 86.52 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 120.693 1.588 . . . . 0.0 109.982 173.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 52.9 m -68.12 -31.13 70.51 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 58.6 tp -62.72 -50.86 69.44 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.332 1.053 . . . . 0.0 109.492 174.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 92.6 t -56.08 -48.48 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 123.7 0.8 . . . . 0.0 109.929 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 28.3 t60 -52.96 -59.66 4.25 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.756 0.822 . . . . 0.0 110.749 176.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -56.25 -31.01 63.16 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 88.9 m -71.87 -16.33 62.14 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 177.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -118.45 -15.58 9.63 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.064 1.346 . . . . 0.0 114.194 177.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 11.9 t -51.41 113.69 1.03 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.503 2.321 . . . . 0.0 112.503 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -69.39 -20.06 63.82 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.752 2.021 . . . . 0.0 115.239 -175.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 34.0 t30 -123.34 110.52 15.27 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.256 1.423 . . . . 0.0 112.429 -176.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -56.95 -17.54 10.04 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 178.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -90.54 -0.01 57.51 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.809 1.644 . . . . 0.0 114.384 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 48.6 t -40.86 108.66 0.09 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 127.256 2.222 . . . . 0.0 112.468 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 79.6 p -71.22 1.48 5.97 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 116.908 2.188 . . . . 0.0 116.908 -173.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 20.9 tp -60.96 123.74 76.7 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 124.857 1.263 . . . . 0.0 108.704 177.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -45.13 -44.65 15.32 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.502 2.802 . . . . 0.0 114.935 -177.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 37.3 m -71.04 -42.18 69.84 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 5.6 t -58.7 -45.83 88.65 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.922 1.289 . . . . 0.0 109.528 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -50.58 -47.39 57.95 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.793 1.237 . . . . 0.0 112.235 175.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -66.51 -51.95 51.16 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 119.344 0.975 . . . . 0.0 111.09 177.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 53.0 tpp -53.7 -41.76 67.29 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 126.283 1.833 . . . . 0.0 113.229 -177.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.72 -47.77 50.36 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.339 1.456 . . . . 0.0 112.865 178.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -60.07 -47.24 86.7 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 118.984 0.811 . . . . 0.0 112.337 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 2.6 t -69.77 -43.37 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.802 0.841 . . . . 0.0 112.53 -177.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 8.2 p -64.91 -37.64 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 119.272 0.942 . . . . 0.0 110.904 176.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -64.22 -27.97 69.42 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.022 0.929 . . . . 0.0 112.1 174.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.6 t60 -70.6 -66.92 0.54 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.906 0.882 . . . . 0.0 109.862 175.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 4.9 t -56.11 -34.59 66.18 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -174.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -66.77 -13.34 61.34 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 178.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -137.33 3.0 3.25 Favored Glycine 0 CA--C 1.538 1.495 0 N-CA-C 116.424 1.33 . . . . 0.0 116.424 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 49.5 t -57.47 129.36 41.47 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.226 1.513 . . . . 0.0 112.997 -178.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 23.1 tptm -70.68 -16.92 62.84 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.799 1.64 . . . . 0.0 112.411 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 39.6 ttm105 -107.33 -58.85 1.9 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.479 1.912 . . . . 0.0 111.858 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1812 ' ' LYS . . . . . 0.4 ' HG2' ' H ' ' A' 1813 ' ' THR . 32.9 tttt 53.52 -171.88 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 127.389 2.275 . . . . 0.0 113.2 -176.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1813 ' ' THR . . . . . 0.4 ' H ' ' HG2' ' A' 1812 ' ' LYS . 25.5 p -58.5 -31.08 67.55 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 120.399 -1.438 . . . . 0.0 112.568 177.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 38.9 t30 -58.22 -35.43 71.66 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.036 1.335 . . . . 0.0 112.229 175.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -101.51 4.75 54.38 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 126.094 1.807 . . . . 0.0 113.965 177.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 83.95 18.15 63.84 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 125.237 1.398 . . . . 0.0 116.376 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 10.4 t -57.67 115.2 10.15 Favored Pre-proline 0 CA--C 1.553 1.073 0 CA-C-N 119.459 1.63 . . . . 0.0 112.114 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -56.9 -44.69 42.32 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.211 2.607 . . . . 0.0 114.096 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 58.6 t -54.44 -60.09 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.423 1.489 . . . . 0.0 111.358 -178.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 35.2 m -52.49 -46.71 66.7 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.967 1.707 . . . . 0.0 110.972 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -47.83 81.61 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.642 1.177 . . . . 0.0 110.926 176.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -60.0 -41.95 93.22 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.472 1.033 . . . . 0.0 112.063 178.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.71 -49.68 69.9 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 118.53 0.605 . . . . 0.0 110.855 177.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 61.9 mt -62.47 -30.36 48.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 125.021 1.329 . . . . 0.0 112.087 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -57.1 -47.2 81.64 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.926 1.239 . . . . 0.0 111.104 175.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 9.1 mp -68.36 -36.25 78.94 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.738 0.815 . . . . 0.0 111.077 176.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 82.6 m -60.53 -40.32 91.07 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.606 0.639 . . . . 0.0 110.734 174.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 93.7 m -64.26 -49.33 72.29 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.102 0.961 . . . . 0.0 111.024 176.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 42.1 t80 -58.92 -40.95 86.1 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.234 0.613 . . . . 0.0 111.524 177.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 47.4 t60 -60.92 -58.62 7.68 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.173 0.989 . . . . 0.0 110.173 174.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -54.51 -30.22 52.82 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.57 1.548 . . . . 0.0 114.746 -178.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -57.68 -44.71 85.96 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.222 1.409 . . . . 0.0 111.033 177.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 46.3 m80 -90.07 -30.09 17.93 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.552 1.941 . . . . 0.0 113.975 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 14.3 t -65.44 156.5 32.18 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.159 1.384 . . . . 0.0 113.311 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -142.64 -3.8 1.0 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.823 2.049 . . . . 0.0 113.875 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -72.29 119.01 15.89 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.639 -1.288 . . . . 0.0 111.62 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.78 -17.11 63.9 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 -178.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -132.67 32.8 3.82 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.59 1.956 . . . . 0.0 113.269 -177.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 13.4 t -50.71 136.83 25.41 Favored Pre-proline 0 CA--C 1.557 1.232 0 C-N-CA 126.484 1.914 . . . . 0.0 112.302 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -64.63 -24.03 63.1 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 123.343 2.695 . . . . 0.0 114.788 -177.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 94.3 t -66.05 123.97 86.54 Favored Pre-proline 0 N--CA 1.475 0.799 0 C-N-CA 124.221 1.009 . . . . 0.0 109.047 177.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -63.13 -47.91 7.32 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 123.011 2.474 . . . . 0.0 114.68 -174.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -73.08 -29.33 62.87 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 114.052 1.131 . . . . 0.0 114.052 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 41.4 t -42.37 -66.16 0.39 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.261 1.825 . . . . 0.0 112.641 -177.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 57.6 mt -53.52 -38.63 63.93 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.911 1.285 . . . . 0.0 113.912 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 51.9 t30 -63.61 -50.21 70.29 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.857 0.753 . . . . 0.0 109.626 175.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 13.1 mm -57.18 -47.89 83.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-O 118.926 -0.559 . . . . 0.0 110.573 177.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -53.04 -44.17 67.19 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.582 1.083 . . . . 0.0 111.647 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 33.2 t60 -62.67 -48.86 77.49 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.188 0.595 . . . . 0.0 111.187 175.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -56.92 -31.29 64.77 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.937 1.695 . . . . 0.0 112.297 176.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 5.0 mp -78.1 -44.97 24.68 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.198 1.799 . . . . 0.0 112.117 176.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -66.99 -33.08 74.79 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -69.85 -11.88 61.2 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -64.56 -20.03 65.99 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.905 1.282 . . . . 0.0 112.954 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 . . . . . 0 N--CA 1.473 0.719 0 C-N-CA 127.756 2.423 . . . . 0.0 114.05 177.02 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 79.8 p . . . . . 0 N--CA 1.471 0.585 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -144.06 8.2 1.43 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.784 1.634 . . . . 0.0 114.534 -176.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 67.2 mtt -79.93 3.29 20.37 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.834 1.79 . . . . 0.0 115.834 -178.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.31 152.36 73.31 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 125.88 1.672 . . . . 0.0 111.485 176.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -70.48 -77.48 0.01 OUTLIER 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 123.414 2.743 . . . . 0.0 112.363 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -165.51 173.74 10.66 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 127.287 2.235 . . . . 0.0 110.807 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -149.63 149.46 28.46 Favored Pre-proline 0 CA--C 1.544 0.736 0 C-N-CA 125.709 1.604 . . . . 0.0 109.849 175.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -72.25 -8.69 23.2 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 122.383 2.055 . . . . 0.0 114.866 -176.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -93.06 -17.85 23.34 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -178.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -62.4 -30.34 71.14 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.832 1.197 . . . . 0.0 113.439 -173.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -70.26 -27.11 64.18 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.518 1.527 . . . . 0.0 112.008 175.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.71 -33.14 17.63 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.646 1.578 . . . . 0.0 112.391 177.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 98.0 t -76.53 -51.16 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.713 1.205 . . . . 0.0 111.119 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 44.1 m -56.55 -34.9 67.52 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 -176.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -67.3 -22.41 65.63 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 121.605 -0.684 . . . . 0.0 112.84 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 13.2 mt -90.14 -51.74 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 126.208 1.803 . . . . 0.0 109.35 176.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -152.09 101.6 2.82 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 127.695 2.398 . . . . 0.0 112.777 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -80.92 179.69 5.79 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 123.492 2.794 . . . . 0.0 112.053 177.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -77.21 -20.66 55.01 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.833 -1.167 . . . . 0.0 113.81 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 25.2 p -73.41 -47.28 43.06 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.726 1.61 . . . . 0.0 113.848 -178.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.8 m -141.52 155.41 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.916 1.687 . . . . 0.0 112.329 -178.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 47.2 ttm -82.43 65.65 7.65 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.671 0.788 . . . . 0.0 110.038 175.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 57.5 tp -50.69 -23.66 2.81 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 126.662 1.985 . . . . 0.0 113.6 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.09 -24.18 24.3 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.043 1.337 . . . . 0.0 113.284 174.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.6 p -72.7 -16.73 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 O-C-N 121.207 -0.933 . . . . 0.0 112.349 176.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -111.33 -38.22 5.05 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.669 1.988 . . . . 0.0 112.741 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -65.3 153.12 42.04 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.32 1.848 . . . . 0.0 113.974 -177.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -137.92 86.67 0.22 Allowed Glycine 0 CA--C 1.531 1.079 0 C-N-CA 127.149 2.309 . . . . 0.0 109.874 178.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 83.7 mt -58.14 130.94 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 125.803 1.641 . . . . 0.0 111.782 -176.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -72.41 45.71 0.14 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.643 2.377 . . . . 0.0 113.863 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 63.3 tp -55.94 -26.28 47.13 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 120.653 -1.279 . . . . 0.0 110.652 172.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.2 tp -46.71 -21.74 0.23 Allowed 'General case' 0 CA--C 1.554 1.107 1 C-N-CA 132.111 4.164 . . . . 0.0 112.617 170.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.6 t -62.28 -15.97 50.87 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.969 1.707 . . . . 0.0 114.611 176.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -59.17 149.47 67.49 Favored Pre-proline 0 CA--C 1.553 1.06 0 C-N-CA 124.473 1.109 . . . . 0.0 113.761 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -73.34 154.49 51.12 Favored 'Trans proline' 0 CA--C 1.547 1.126 0 C-N-CA 122.91 2.406 . . . . 0.0 112.528 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -73.9 168.12 25.55 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 123.476 2.784 . . . . 0.0 112.964 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.37 155.67 90.27 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 124.51 1.124 . . . . 0.0 112.015 177.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -72.14 -10.93 26.58 Favored 'Trans proline' 0 CA--C 1.546 1.091 0 C-N-CA 123.477 2.784 . . . . 0.0 114.217 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 179.99 -46.03 0.08 OUTLIER Glycine 0 CA--C 1.533 1.212 0 C-N-CA 126.274 1.892 . . . . 0.0 112.05 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 42.4 t -150.11 142.01 15.34 Favored Pre-proline 0 N--CA 1.47 0.555 0 C-N-CA 126.532 1.933 . . . . 0.0 110.243 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -72.34 -16.63 27.8 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 122.822 2.348 . . . . 0.0 112.907 177.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 . . . . . 0 C--O 1.24 0.557 0 C-N-CA 124.802 1.241 . . . . 0.0 111.963 179.369 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 67.3 m . . . . . 0 CA--C 1.542 0.649 0 CA-C-O 119.322 -0.37 . . . . 0.0 111.766 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -49.62 -36.74 41.69 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 124.575 3.516 . . . . 0.0 115.099 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -63.77 -46.0 87.26 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.421 1.089 . . . . 0.0 111.307 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -65.57 -50.27 65.75 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.41 1.084 . . . . 0.0 111.263 177.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 87.2 p -59.33 -39.34 82.82 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.005 0.821 . . . . 0.0 111.754 178.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -61.82 -51.87 66.5 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.101 0.96 . . . . 0.0 110.795 173.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 44.2 ttm105 -56.08 -41.8 75.71 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.621 1.568 . . . . 0.0 112.295 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.6 mp -67.22 -42.31 84.28 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.496 1.118 . . . . 0.0 110.68 175.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 48.9 m -63.46 -42.8 98.63 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.477 -0.765 . . . . 0.0 111.469 177.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 41.7 mt -55.83 -61.92 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 125.804 1.642 . . . . 0.0 110.138 176.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -59.78 -33.99 72.42 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -65.78 -54.88 21.18 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.035 0.934 . . . . 0.0 110.847 175.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 38.4 t -56.92 -36.02 69.71 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.639 0.654 . . . . 0.0 111.553 176.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 34.5 mt -58.88 -30.72 43.53 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 O-C-N 121.157 -0.965 . . . . 0.0 112.428 175.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -63.46 -47.23 82.7 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 120.431 1.468 . . . . 0.0 110.122 175.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 19.1 m -62.4 -37.61 86.45 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.964 1.306 . . . . 0.0 111.79 176.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.33 -52.77 63.85 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.952 1.301 . . . . 0.0 110.421 175.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 91.6 t -55.14 -50.08 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-O 118.562 -0.733 . . . . 0.0 110.087 177.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 31.3 t60 -52.76 -57.99 8.33 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.466 0.706 . . . . 0.0 110.843 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -55.06 -31.44 61.14 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 95.4 m -76.38 -13.93 60.1 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 178.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -119.56 -12.62 9.28 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.192 1.397 . . . . 0.0 114.092 178.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 8.8 t -63.55 120.55 11.94 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.878 1.671 . . . . 0.0 112.145 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -72.98 -6.9 48.45 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.145 1.778 . . . . 0.0 114.177 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 43.3 t30 -127.28 112.87 15.57 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.949 1.3 . . . . 0.0 112.744 -177.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -63.17 -11.15 18.53 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 176.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 14.4 m120 -118.13 28.51 8.33 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 127.259 2.224 . . . . 0.0 112.671 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 52.7 t -50.63 152.79 1.86 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.468 2.307 . . . . 0.0 112.637 178.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 17.7 m -80.51 -14.61 58.11 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 -177.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 18.0 tp -69.99 133.02 88.15 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-N 120.761 1.619 . . . . 0.0 109.558 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -63.56 -37.38 48.02 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 121.757 1.638 . . . . 0.0 113.243 -175.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 49.5 m -72.28 -38.43 68.8 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 38.1 t -57.79 -51.13 70.85 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.857 1.263 . . . . 0.0 109.918 177.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -47.67 -51.79 20.46 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.383 1.473 . . . . 0.0 112.471 176.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -72.84 -41.55 64.71 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.669 -0.644 . . . . 0.0 112.581 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 61.3 tpp -58.96 -40.63 85.34 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.57 1.148 . . . . 0.0 112.186 178.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -51.94 -39.71 59.63 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.097 0.959 . . . . 0.0 112.671 177.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -58.91 -55.95 28.52 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 119.18 0.9 . . . . 0.0 111.935 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 23.2 m -64.41 -35.45 74.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 118.853 0.752 . . . . 0.0 112.324 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 41.9 t -60.86 -49.35 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.708 0.803 . . . . 0.0 110.176 175.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -64.71 -26.73 68.5 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.872 0.869 . . . . 0.0 112.561 176.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 5.2 t60 -68.85 -66.88 0.52 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.023 0.929 . . . . 0.0 109.799 176.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 5.5 t -56.2 -34.76 66.56 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -174.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -68.95 -9.88 54.37 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -144.3 16.01 2.09 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 125.166 1.365 . . . . 0.0 115.874 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 43.1 t -57.34 145.72 31.39 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 118.851 1.326 . . . . 0.0 113.1 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -70.28 -18.87 63.13 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.235 1.414 . . . . 0.0 113.144 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -140.61 -26.62 0.74 Allowed 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 177.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1812 ' ' LYS . . . . . 0.456 ' HG2' ' H ' ' A' 1813 ' ' THR . 42.2 tttt 50.58 -163.06 0.05 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.501 1.92 . . . . 0.0 113.299 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1813 ' ' THR . . . . . 0.456 ' H ' ' HG2' ' A' 1812 ' ' LYS . 19.9 p -59.86 -26.62 66.0 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 120.382 -1.449 . . . . 0.0 112.745 176.265 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 32.8 t30 -59.53 -43.87 93.35 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.852 1.261 . . . . 0.0 111.423 175.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -89.35 -7.16 69.99 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 124.989 1.281 . . . . 0.0 113.843 176.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 95.75 20.37 26.71 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.673 1.606 . . . . 0.0 116.162 177.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 10.0 t -54.97 113.42 5.38 Favored Pre-proline 0 CA--C 1.555 1.163 0 CA-C-N 119.152 1.476 . . . . 0.0 112.539 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -58.73 -36.26 97.39 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 123.184 2.589 . . . . 0.0 113.873 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 48.9 t -59.66 -62.16 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.17 1.388 . . . . 0.0 110.012 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 49.6 m -52.88 -48.85 66.84 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.149 1.779 . . . . 0.0 111.72 178.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -51.99 64.39 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.497 1.119 . . . . 0.0 111.053 178.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -65.02 -31.88 73.32 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.55 -50.15 64.09 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.341 0.973 . . . . 0.0 109.401 173.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 69.4 mt -62.42 -30.5 49.2 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 125.663 1.585 . . . . 0.0 111.706 178.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -56.85 -49.62 74.9 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 119.721 1.146 . . . . 0.0 110.886 175.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 7.2 mp -67.54 -38.95 84.92 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.144 0.977 . . . . 0.0 110.972 176.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 83.8 m -58.92 -41.86 88.29 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.848 0.749 . . . . 0.0 110.991 174.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 44.7 t -65.76 -48.98 70.01 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.014 1.325 . . . . 0.0 111.257 177.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 3.6 t80 -58.98 -37.69 77.41 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.271 0.628 . . . . 0.0 111.124 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 30.9 t60 -63.81 -58.48 6.7 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.893 1.277 . . . . 0.0 109.946 173.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -52.42 -32.56 39.75 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.051 1.74 . . . . 0.0 114.631 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -54.96 -45.97 74.97 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.942 1.697 . . . . 0.0 111.135 177.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 48.2 m80 -90.17 -27.85 19.29 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 127.007 2.123 . . . . 0.0 114.462 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 8.7 t -63.02 154.28 31.18 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.04 1.336 . . . . 0.0 113.803 -177.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -137.87 -4.87 1.74 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.765 2.026 . . . . 0.0 114.184 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -73.37 118.87 16.84 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.535 -1.353 . . . . 0.0 111.894 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -16.38 60.07 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -178.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -136.73 38.66 2.62 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 126.781 2.032 . . . . 0.0 112.681 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 14.0 t -52.08 136.92 38.08 Favored Pre-proline 0 CA--C 1.558 1.288 0 C-N-CA 125.866 1.666 . . . . 0.0 112.408 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -65.14 -24.08 59.57 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 123.477 2.785 . . . . 0.0 115.174 -177.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 70.3 t -64.39 116.02 24.74 Favored Pre-proline 0 N--CA 1.477 0.915 0 C-N-CA 124.733 1.213 . . . . 0.0 109.504 178.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -47.98 -51.61 9.64 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 124.298 3.332 . . . . 0.0 116.252 -176.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -78.4 -22.44 47.8 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 -176.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 42.7 t -44.1 -66.22 0.41 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.935 1.694 . . . . 0.0 112.803 -176.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 6.3 mp -49.44 -46.04 47.24 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.456 1.902 . . . . 0.0 113.543 177.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 15.0 m120 -61.83 -44.98 95.75 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.449 0.7 . . . . 0.0 110.852 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 9.5 mm -59.86 -46.26 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-O 118.716 -0.659 . . . . 0.0 110.3 175.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 57.2 mttt -52.4 -46.35 66.26 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 119.791 1.178 . . . . 0.0 111.325 177.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 55.2 t60 -58.33 -46.59 85.91 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.851 0.86 . . . . 0.0 111.545 177.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -59.37 -45.53 91.19 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.712 1.205 . . . . 0.0 111.271 175.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 6.1 mp -59.17 -32.54 70.0 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.266 1.426 . . . . 0.0 112.988 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -70.42 -19.9 62.96 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.728 1.149 . . . . 0.0 113.474 175.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -75.43 -7.73 54.84 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -66.08 -13.49 60.14 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.252 1.421 . . . . 0.0 114.402 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 15.2 pt20 . . . . . 0 N--CA 1.472 0.65 0 C-N-CA 126.073 1.749 . . . . 0.0 112.617 178.78 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 81.1 p . . . . . 0 CA--C 1.54 0.576 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -73.47 -11.32 60.42 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.626 1.57 . . . . 0.0 114.411 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 86.8 mmm -138.17 173.83 11.2 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.912 2.085 . . . . 0.0 111.889 -178.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -152.42 143.73 16.0 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 125.394 1.478 . . . . 0.0 111.741 178.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -77.46 -89.45 0.0 OUTLIER 'Trans proline' 0 CA--C 1.544 0.995 0 C-N-CA 123.889 3.059 . . . . 0.0 110.856 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -160.35 168.69 24.7 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.738 1.615 . . . . 0.0 112.53 177.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -159.44 121.7 1.9 Allowed Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 127.305 2.242 . . . . 0.0 107.784 177.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -63.05 -18.32 64.59 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 122.535 2.157 . . . . 0.0 114.346 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -86.33 -12.16 50.15 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.273 1.429 . . . . 0.0 113.422 178.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -27.47 67.56 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -175.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -64.89 -41.15 95.87 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.977 0.911 . . . . 0.0 110.878 177.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.27 -38.59 75.11 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.34 1.056 . . . . 0.0 111.578 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 92.7 t -64.66 -44.38 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.806 0.842 . . . . 0.0 110.269 176.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 72.8 m -53.25 -43.9 67.72 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.646 1.578 . . . . 0.0 115.174 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -67.24 -19.14 65.48 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 119.324 0.965 . . . . 0.0 113.484 178.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 17.7 mt -90.13 -50.81 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 C-N-CA 126.223 1.809 . . . . 0.0 109.241 177.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -156.67 102.57 1.98 Allowed Pre-proline 0 CA--C 1.559 1.295 0 C-N-CA 128.309 2.644 . . . . 0.0 111.529 176.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -82.18 -18.5 7.33 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 124.132 3.221 . . . . 0.0 115.684 -176.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -142.37 -178.98 6.01 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.144 1.778 . . . . 0.0 110.095 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 16.4 m -58.36 -13.03 4.4 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.193 1.397 . . . . 0.0 114.637 178.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.4 m -63.22 145.14 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 126.216 1.806 . . . . 0.0 111.836 177.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 21.5 mmt -81.78 55.22 2.65 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.028 0.931 . . . . 0.0 111.529 178.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 44.6 tp -54.31 -29.54 47.97 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 120.92 -1.112 . . . . 0.0 112.837 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.06 -22.09 36.53 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.638 0.775 . . . . 0.0 112.994 174.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.24 -19.68 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 O-C-N 120.692 -1.255 . . . . 0.0 112.836 176.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -122.38 -25.74 4.75 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.913 1.685 . . . . 0.0 113.839 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -74.45 167.61 21.36 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.37 1.468 . . . . 0.0 111.205 176.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -148.36 92.0 0.15 Allowed Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.208 0.909 . . . . 0.0 114.422 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 64.9 mt -54.97 125.77 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 124.658 1.183 . . . . 0.0 109.272 175.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -75.9 57.91 1.1 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.355 1.462 . . . . 0.0 113.352 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 61.1 tp -52.51 -24.93 8.96 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.936 1.695 . . . . 0.0 113.047 178.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 60.7 mt -52.94 -16.08 0.94 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.729 2.411 . . . . 0.0 113.545 176.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.2 t -60.84 -23.33 65.03 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.628 1.971 . . . . 0.0 112.998 174.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.68 159.82 82.25 Favored Pre-proline 0 CA--C 1.554 1.101 0 C-N-CA 125.964 1.706 . . . . 0.0 113.251 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -72.5 145.59 42.65 Favored 'Trans proline' 0 CA--C 1.55 1.318 0 C-N-CA 122.436 2.091 . . . . 0.0 111.33 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -54.53 167.38 1.42 Allowed 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 124.068 3.179 . . . . 0.0 117.493 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.69 152.51 89.83 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 127.307 2.243 . . . . 0.0 112.957 176.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.4 -18.98 38.42 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 123.185 2.59 . . . . 0.0 113.721 178.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -93.16 7.53 75.98 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 125.891 1.71 . . . . 0.0 114.957 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 65.4 m -57.2 117.46 18.23 Favored Pre-proline 0 N--CA 1.474 0.766 0 C-N-CA 125.28 1.432 . . . . 0.0 111.963 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -74.5 -19.54 19.06 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 122.97 2.447 . . . . 0.0 114.148 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 . . . . . 0 N--CA 1.476 0.862 0 C-N-CA 127.497 2.319 . . . . 0.0 113.939 179.748 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 CA--C 1.54 0.591 0 CA-C-O 119.044 -0.503 . . . . 0.0 112.088 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -67.07 -34.03 29.93 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.683 2.255 . . . . 0.0 111.706 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 15.9 tp60 -63.19 -39.14 93.79 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.302 -0.874 . . . . 0.0 110.678 176.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.95 -60.13 3.15 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.197 0.999 . . . . 0.0 110.816 177.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 94.5 p -55.3 -37.71 67.72 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -178.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 14.2 mmp_? -64.33 -54.7 29.01 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.746 0.819 . . . . 0.0 111.708 177.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -63.37 -33.47 75.6 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.167 0.894 . . . . 0.0 112.419 177.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 6.1 mp -68.41 -30.5 69.42 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 41.0 m -58.42 -46.76 85.83 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.494 1.043 . . . . 0.0 111.723 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 54.6 mt -58.54 -63.0 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 125.345 1.458 . . . . 0.0 110.743 178.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -59.45 -34.72 72.87 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -178.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -63.49 -53.33 53.72 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.799 0.84 . . . . 0.0 110.406 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 32.2 t -57.71 -33.55 68.52 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 118.827 0.74 . . . . 0.0 111.768 176.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 53.5 mt -65.68 -27.52 41.66 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 O-C-N 121.106 -0.996 . . . . 0.0 112.246 176.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -63.63 -46.32 86.22 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 120.569 1.532 . . . . 0.0 109.395 173.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 9.0 m -59.55 -39.08 82.82 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.756 1.623 . . . . 0.0 111.515 175.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 61.1 tp -59.79 -53.96 51.8 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.12 1.368 . . . . 0.0 110.023 175.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 98.4 t -55.61 -50.51 66.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.534 177.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 30.0 t60 -51.46 -60.41 3.17 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.608 0.763 . . . . 0.0 111.121 177.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.65 -27.48 62.87 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -178.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 89.1 m -78.12 -14.54 59.44 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 176.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -118.41 -13.92 9.76 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.156 1.382 . . . . 0.0 114.263 178.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 13.4 t -59.91 116.96 4.49 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.543 1.937 . . . . 0.0 111.918 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -71.75 -6.94 45.02 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.72 2.008 . . . . 0.0 116.18 -176.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 32.9 t30 -137.09 110.21 7.77 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.617 1.167 . . . . 0.0 112.18 -177.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -56.92 -17.4 9.43 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 178.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -87.98 -0.03 56.5 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 125.771 1.628 . . . . 0.0 114.013 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 44.0 t -46.23 111.2 0.34 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.99 2.116 . . . . 0.0 111.454 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 78.6 p -74.36 2.01 10.34 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 -175.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 14.4 tp -61.26 127.34 87.99 Favored Pre-proline 0 CA--C 1.545 0.77 0 C-N-CA 124.655 1.182 . . . . 0.0 109.4 177.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -56.01 -37.23 96.46 Favored 'Trans proline' 0 CA--C 1.536 0.591 0 C-N-CA 122.934 2.423 . . . . 0.0 113.746 -176.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 75.6 m -64.54 -48.98 73.07 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.365 1.066 . . . . 0.0 111.978 176.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 8.6 t -61.55 -51.99 66.31 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.734 1.614 . . . . 0.0 109.839 177.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -46.95 -58.37 4.02 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.229 1.812 . . . . 0.0 111.604 175.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -57.26 -52.08 66.78 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.908 0.883 . . . . 0.0 112.035 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 40.1 tpp -56.69 -38.74 72.69 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.823 0.849 . . . . 0.0 113.051 178.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -55.39 -34.0 63.96 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 117.897 -1.049 . . . . 0.0 113.076 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -59.75 -57.74 11.58 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 120.269 1.395 . . . . 0.0 111.312 176.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 28.9 m -64.13 -36.17 76.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 43.3 t -62.07 -50.62 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.186 0.994 . . . . 0.0 110.432 175.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -61.59 -30.11 70.47 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.8 1.24 . . . . 0.0 112.436 176.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.8 t60 -72.16 -64.31 0.97 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.412 1.085 . . . . 0.0 110.91 176.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 11.7 t -54.02 -34.96 61.33 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 114.53 1.308 . . . . 0.0 114.53 -176.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -69.25 -11.33 60.71 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -139.62 0.92 2.27 Favored Glycine 0 CA--C 1.538 1.509 0 N-CA-C 117.001 1.561 . . . . 0.0 117.001 -177.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 52.9 t -57.34 141.83 45.67 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.341 1.57 . . . . 0.0 113.156 -178.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -74.58 -9.69 58.82 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.09 1.756 . . . . 0.0 112.908 177.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 20.5 mtm180 -120.08 -59.58 1.78 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.248 1.819 . . . . 0.0 113.644 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 52.8 mtpt 56.72 -164.89 0.15 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.555 1.142 . . . . 0.0 110.781 -169.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 17.4 p -56.05 -46.1 79.03 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.726 -1.234 . . . . 0.0 112.642 178.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 11.4 p30 -62.08 -28.47 69.63 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -91.55 -7.71 64.72 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 125.196 1.379 . . . . 0.0 113.887 177.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 87.08 17.94 58.51 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.545 1.545 . . . . 0.0 115.881 177.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 24.5 t -61.93 117.44 29.09 Favored Pre-proline 0 CA--C 1.553 1.061 0 CA-C-N 118.829 1.315 . . . . 0.0 112.382 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -57.13 -39.79 88.09 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.3 2.666 . . . . 0.0 113.692 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 60.7 t -58.8 -63.09 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.282 1.033 . . . . 0.0 109.97 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 41.2 m -53.34 -52.89 57.72 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.773 1.629 . . . . 0.0 111.927 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.3 -50.16 65.49 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.98 0.912 . . . . 0.0 111.438 178.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -66.2 -30.32 70.76 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 178.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.95 -49.66 69.47 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 118.778 0.717 . . . . 0.0 109.078 172.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 31.2 mm -60.96 -31.99 51.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.654 1.182 . . . . 0.0 111.779 177.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -56.53 -45.64 81.02 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 120.362 1.437 . . . . 0.0 111.577 175.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 7.2 mp -69.47 -37.74 77.43 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.892 0.877 . . . . 0.0 110.962 175.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 84.6 m -60.3 -38.05 82.45 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 118.852 0.751 . . . . 0.0 110.697 173.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 95.9 m -67.07 -48.52 68.01 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.395 1.078 . . . . 0.0 111.27 176.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 29.1 t80 -58.06 -40.31 80.68 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.375 0.534 . . . . 0.0 110.839 176.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 46.6 t60 -61.67 -59.69 4.8 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.122 0.969 . . . . 0.0 110.053 174.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -53.18 -31.53 43.28 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.087 1.755 . . . . 0.0 114.672 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -57.25 -47.35 81.59 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.802 1.641 . . . . 0.0 111.103 177.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 44.5 m80 -90.15 -27.91 19.28 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.488 1.915 . . . . 0.0 114.611 -178.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 17.9 t -63.82 149.83 46.08 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.881 1.272 . . . . 0.0 113.86 -177.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -138.86 1.07 2.04 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 127.363 2.265 . . . . 0.0 113.236 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.29 106.03 4.94 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.288 1.435 . . . . 0.0 110.063 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.24 -25.05 12.8 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.332 1.453 . . . . 0.0 114.594 -177.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 97.4 mttt -130.0 33.52 4.38 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.553 1.941 . . . . 0.0 112.727 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 12.1 t -43.57 134.44 3.6 Favored Pre-proline 0 CA--C 1.556 1.175 0 C-N-CA 126.999 2.119 . . . . 0.0 113.407 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -64.34 -23.8 65.24 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 123.227 2.618 . . . . 0.0 114.735 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 96.9 t -66.4 123.3 85.15 Favored Pre-proline 0 N--CA 1.476 0.837 0 C-N-CA 124.18 0.992 . . . . 0.0 108.991 177.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -64.09 -44.85 11.4 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.919 2.413 . . . . 0.0 114.666 -174.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -75.46 -30.34 59.93 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.093 1.145 . . . . 0.0 114.093 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 41.0 t -41.36 -67.5 0.25 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.567 1.947 . . . . 0.0 113.046 -177.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 51.0 mt -55.36 -36.7 66.6 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.475 1.11 . . . . 0.0 113.751 -179.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -64.02 -48.89 74.56 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.64 0.655 . . . . 0.0 109.715 175.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 14.0 mm -58.64 -47.75 87.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 119.005 -0.521 . . . . 0.0 110.6 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -52.14 -45.66 65.07 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 119.419 1.008 . . . . 0.0 111.649 177.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 54.4 t60 -62.36 -50.65 70.74 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.903 0.881 . . . . 0.0 111.17 176.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -54.77 -40.11 69.06 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.424 1.49 . . . . 0.0 111.925 176.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 3.0 mp -60.23 -41.37 92.98 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.611 1.565 . . . . 0.0 112.618 177.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -78.54 -27.37 45.92 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 118.883 0.765 . . . . 0.0 112.226 176.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -63.11 -19.59 64.58 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.761 1.225 . . . . 0.0 112.464 178.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -64.17 -20.22 65.86 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.287 1.435 . . . . 0.0 112.754 175.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 19.8 pt20 . . . . . 0 C--O 1.239 0.509 0 C-N-CA 126.587 1.955 . . . . 0.0 111.568 -179.525 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 81.3 p . . . . . 0 N--CA 1.472 0.656 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -66.73 -17.18 64.73 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.545 1.538 . . . . 0.0 114.372 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 28.1 ptm -147.16 168.2 22.23 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.164 1.786 . . . . 0.0 112.139 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.91 163.32 65.98 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 124.458 1.103 . . . . 0.0 113.148 178.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -77.24 -179.55 5.54 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 124.975 3.783 . . . . 0.0 106.621 169.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -119.13 165.32 14.32 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.321 1.048 . . . . 0.0 111.006 175.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -153.36 136.86 10.18 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 124.649 1.18 . . . . 0.0 110.687 -178.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -68.31 -14.7 40.94 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 122.416 2.078 . . . . 0.0 115.132 -177.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -95.56 -12.98 24.83 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.656 1.182 . . . . 0.0 113.865 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -57.94 -37.15 73.6 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.438 1.017 . . . . 0.0 113.651 -174.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -58.76 -40.27 83.4 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.17 1.788 . . . . 0.0 112.034 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.38 -20.69 60.69 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 177.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 12.5 t -82.5 -48.86 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.316 1.046 . . . . 0.0 110.657 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 71.2 m -51.32 -36.69 43.83 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 -177.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -67.79 -24.39 65.31 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 8.2 mt -90.11 -54.31 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 126.629 1.971 . . . . 0.0 109.725 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -152.43 100.89 2.77 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 126.953 2.101 . . . . 0.0 111.57 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.11 172.87 15.52 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 122.537 2.158 . . . . 0.0 111.392 177.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -69.46 -21.46 63.72 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.774 -1.204 . . . . 0.0 114.12 -178.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 19.9 m -78.45 -43.91 25.99 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.388 1.475 . . . . 0.0 114.684 -177.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 32.9 m -143.58 157.03 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 124.999 1.32 . . . . 0.0 112.713 -177.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 34.3 mtp -82.72 65.5 7.88 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.875 0.87 . . . . 0.0 111.24 175.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 37.3 tp -52.0 -25.82 9.3 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.189 1.796 . . . . 0.0 113.696 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.83 -13.64 6.76 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.235 1.414 . . . . 0.0 114.339 175.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.9 p -73.57 -17.31 17.49 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 124.097 0.959 . . . . 0.0 111.73 173.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -130.69 -30.84 1.82 Allowed 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 -177.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.69 167.56 21.56 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 120.661 1.573 . . . . 0.0 112.871 178.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.4 108.07 0.98 Allowed Glycine 0 CA--C 1.533 1.203 0 C-N-CA 125.438 1.494 . . . . 0.0 113.821 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 20.1 mt -60.14 128.3 20.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.824 1.25 . . . . 0.0 110.681 177.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -72.51 42.68 0.1 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 127.834 2.454 . . . . 0.0 114.427 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 43.2 tp -50.15 -25.36 3.47 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.133 1.773 . . . . 0.0 113.745 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 38.8 mt -51.78 -23.54 4.79 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 128.12 2.568 . . . . 0.0 113.47 175.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.0 t -67.17 -14.49 62.96 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.404 1.882 . . . . 0.0 114.877 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.43 160.85 38.8 Favored Pre-proline 0 CA--C 1.553 1.09 0 C-N-CA 125.127 1.371 . . . . 0.0 112.692 179.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -67.21 150.52 81.74 Favored 'Trans proline' 0 CA--C 1.546 1.112 0 C-N-CA 122.399 2.066 . . . . 0.0 111.856 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -69.04 -27.1 30.32 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.027 2.485 . . . . 0.0 113.58 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -154.61 150.19 21.38 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 126.69 1.996 . . . . 0.0 109.656 176.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.87 -20.0 52.05 Favored 'Trans proline' 0 CA--C 1.542 0.877 0 C-N-CA 122.984 2.456 . . . . 0.0 113.7 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.36 7.62 54.29 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 126.013 1.768 . . . . 0.0 114.375 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 46.9 t -65.3 134.3 95.71 Favored Pre-proline 0 N--CA 1.471 0.615 0 CA-C-N 118.812 1.306 . . . . 0.0 111.758 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -75.31 -11.74 20.93 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 122.718 2.279 . . . . 0.0 113.35 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 N--CA 1.476 0.871 0 C-N-CA 127.776 2.431 . . . . 0.0 114.055 -179.173 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 70.5 m . . . . . 0 CA--C 1.542 0.64 0 CA-C-O 119.323 -0.37 . . . . 0.0 111.792 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -61.7 -24.98 78.36 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 122.668 2.245 . . . . 0.0 113.011 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 12.8 mp0 -60.04 -43.71 95.16 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.366 1.067 . . . . 0.0 110.749 176.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.69 -49.49 76.27 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.071 0.948 . . . . 0.0 110.034 176.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 46.4 m -55.22 -49.11 72.8 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.195 0.998 . . . . 0.0 112.153 177.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 56.5 mtm180 -62.18 -48.32 80.59 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.771 0.828 . . . . 0.0 111.546 177.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -59.92 -29.22 68.23 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.983 1.313 . . . . 0.0 112.184 176.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 3.3 mp -72.97 -52.46 14.44 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.298 -0.876 . . . . 0.0 109.954 175.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 73.7 m -53.93 -50.33 66.66 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.237 -0.914 . . . . 0.0 112.545 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 17.4 tt -60.57 -48.64 87.71 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 123.513 0.725 . . . . 0.0 112.254 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -65.88 -34.87 79.14 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.599 1.09 . . . . 0.0 113.194 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -60.01 -52.69 64.31 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.658 1.183 . . . . 0.0 110.161 176.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 27.1 t -59.55 -35.59 74.53 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 122.593 0.357 . . . . 0.0 111.819 175.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 40.9 mt -63.54 -29.43 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 121.184 -0.948 . . . . 0.0 111.9 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -62.4 -45.15 94.42 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 120.359 1.436 . . . . 0.0 109.869 174.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 9.8 m -61.88 -41.26 97.66 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.0 1.32 . . . . 0.0 111.235 176.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 69.4 tp -57.27 -53.03 62.76 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.045 1.338 . . . . 0.0 110.747 175.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 95.3 t -57.02 -52.22 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.459 0.703 . . . . 0.0 110.413 177.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 41.3 t60 -52.92 -56.66 14.28 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.852 0.861 . . . . 0.0 111.459 178.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -56.82 -30.06 63.38 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 85.3 m -75.33 -13.4 60.41 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 176.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -118.46 -18.84 9.05 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.047 1.339 . . . . 0.0 114.282 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 10.9 t -63.78 116.92 6.21 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.828 1.651 . . . . 0.0 111.87 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -72.06 -18.76 61.91 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.565 1.946 . . . . 0.0 115.405 -176.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 29.2 t30 -127.38 112.46 15.04 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.761 1.224 . . . . 0.0 112.988 -175.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -58.67 -15.93 14.01 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 177.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -90.68 7.28 40.23 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 126.144 1.778 . . . . 0.0 113.508 178.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 41.8 t -45.77 133.1 8.49 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.369 2.268 . . . . 0.0 111.859 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 79.6 p -68.7 -5.5 20.71 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 116.507 2.04 . . . . 0.0 116.507 -175.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 29.4 tp -76.75 118.7 73.51 Favored Pre-proline 0 CA--C 1.551 1.008 0 CA-C-N 120.214 1.37 . . . . 0.0 111.12 179.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -49.96 -40.98 49.24 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.475 2.783 . . . . 0.0 115.066 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 88.3 p -73.59 -33.49 64.64 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 49.5 t -61.37 -51.82 67.18 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.214 1.405 . . . . 0.0 109.427 175.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -48.49 -51.12 28.75 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.68 1.592 . . . . 0.0 111.874 176.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 94.1 mttt -62.0 -53.81 50.34 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.587 1.155 . . . . 0.0 111.233 177.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 52.3 tpp -60.31 -28.57 68.23 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.931 1.293 . . . . 0.0 114.391 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -56.34 -44.16 79.77 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 120.545 -1.347 . . . . 0.0 111.281 175.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -62.04 -39.89 93.89 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.977 0.911 . . . . 0.0 111.554 176.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 58.1 t -60.78 -58.3 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 126.16 1.784 . . . . 0.0 111.426 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 7.7 p -61.56 -36.93 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 118.914 0.779 . . . . 0.0 112.069 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -65.89 -23.41 66.64 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.505 1.122 . . . . 0.0 113.302 175.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 19.2 t60 -70.87 -66.3 0.63 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.423 1.011 . . . . 0.0 110.461 177.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 10.9 t -52.92 -37.85 61.26 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 -176.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -68.61 -11.34 59.92 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -136.37 7.71 4.01 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.515 1.531 . . . . 0.0 115.812 -178.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 49.7 t -59.03 142.57 50.92 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.991 1.395 . . . . 0.0 112.516 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -71.35 -16.99 62.45 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.605 1.562 . . . . 0.0 113.608 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.47 -23.8 0.59 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 12.0 tttp 53.26 -165.39 0.08 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.161 1.784 . . . . 0.0 113.488 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 17.9 p -59.22 -28.8 67.0 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.998 1.319 . . . . 0.0 112.295 174.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 33.4 t30 -57.97 -46.35 85.28 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.335 1.454 . . . . 0.0 111.727 176.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -86.74 -8.97 75.65 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.544 1.069 . . . . 0.0 113.887 176.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 98.62 21.19 17.25 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.431 1.491 . . . . 0.0 116.315 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 12.8 t -55.3 115.06 8.28 Favored Pre-proline 0 CA--C 1.556 1.177 0 CA-C-N 119.357 1.578 . . . . 0.0 111.869 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -54.88 -48.85 19.0 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.694 2.929 . . . . 0.0 114.241 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -60.2 -49.26 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.656 1.182 . . . . 0.0 111.507 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 85.4 m -55.57 -48.62 74.48 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.297 0.953 . . . . 0.0 110.084 175.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1821 ' ' LYS . . . . . 0.414 ' O ' ' HE2' ' A' 1821 ' ' LYS . 0.1 OUTLIER -56.21 -47.36 78.55 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.36 -0.837 . . . . 0.0 111.064 177.046 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -60.02 -43.33 95.32 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.574 -0.703 . . . . 0.0 111.973 177.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 25.6 tp -64.56 -47.78 77.46 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.144 -0.973 . . . . 0.0 111.439 177.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 34.4 mm -61.4 -32.37 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 123.9 0.88 . . . . 0.0 111.21 176.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -57.9 -46.68 84.56 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.822 1.192 . . . . 0.0 111.175 174.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 8.0 mp -67.26 -40.69 86.25 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.954 0.901 . . . . 0.0 111.29 176.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 77.7 m -58.8 -42.58 89.41 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 118.597 0.635 . . . . 0.0 110.497 175.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 45.2 t -65.01 -50.98 64.15 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.116 1.366 . . . . 0.0 111.2 176.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 11.7 t80 -57.29 -38.4 73.9 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.715 0.806 . . . . 0.0 111.551 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 54.7 t60 -64.44 -59.67 4.06 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.179 0.992 . . . . 0.0 109.888 173.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -52.83 -32.75 46.01 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.873 1.669 . . . . 0.0 114.838 -178.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -56.37 -45.53 80.45 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.779 1.632 . . . . 0.0 111.244 177.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 43.4 m80 -90.01 -27.76 19.54 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.239 1.816 . . . . 0.0 113.743 -179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 11.5 t -67.29 164.96 17.26 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.094 1.358 . . . . 0.0 113.15 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -154.77 -3.42 0.16 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.637 1.975 . . . . 0.0 114.674 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -69.34 116.19 9.48 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 120.807 -1.183 . . . . 0.0 110.848 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -16.83 57.85 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -177.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -129.86 29.42 4.99 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.626 1.97 . . . . 0.0 113.459 -178.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 8.9 t -49.01 134.49 14.82 Favored Pre-proline 0 CA--C 1.556 1.187 0 C-N-CA 126.293 1.837 . . . . 0.0 111.57 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -64.37 -23.2 65.56 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 123.354 2.703 . . . . 0.0 115.097 -176.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 89.1 t -69.4 118.42 62.09 Favored Pre-proline 0 N--CA 1.474 0.756 0 C-N-CA 124.361 1.064 . . . . 0.0 108.528 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -64.52 -38.11 34.62 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.511 2.141 . . . . 0.0 113.801 -176.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -74.43 -29.23 61.4 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 118.286 -0.864 . . . . 0.0 113.302 179.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 37.6 t -49.76 -66.32 0.41 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.19 1.396 . . . . 0.0 111.187 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 69.4 mt -51.64 -41.3 61.21 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.728 1.611 . . . . 0.0 113.5 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -61.5 -50.56 72.22 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.601 0.761 . . . . 0.0 110.114 176.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 7.9 mm -59.73 -46.98 92.91 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 CA-C-O 118.663 -0.684 . . . . 0.0 110.595 175.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -52.78 -46.56 67.64 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 119.825 1.193 . . . . 0.0 111.135 177.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 56.1 t60 -58.92 -49.13 78.98 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.175 0.99 . . . . 0.0 111.358 176.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 14.4 mptt -56.83 -44.39 82.03 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.753 1.221 . . . . 0.0 111.563 175.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 5.0 mp -57.51 -34.4 69.06 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.136 1.374 . . . . 0.0 112.721 177.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 59.1 mmt-85 -73.56 -14.96 61.29 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 113.807 1.039 . . . . 0.0 113.807 176.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 -82.51 -7.54 59.64 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -64.69 162.29 16.12 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.809 1.244 . . . . 0.0 112.987 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 23.8 mm100 . . . . . 0 N--CA 1.471 0.614 0 C-N-CA 124.891 1.277 . . . . 0.0 112.229 178.867 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 35.5 m . . . . . 0 CA--C 1.541 0.609 0 N-CA-C 113.979 1.104 . . . . 0.0 113.979 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -145.19 172.14 13.54 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.397 1.879 . . . . 0.0 112.373 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 25.7 ptp -68.75 168.21 13.78 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.811 1.244 . . . . 0.0 112.816 177.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.79 152.14 87.36 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 124.04 0.936 . . . . 0.0 113.109 178.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -80.53 -120.06 0.01 OUTLIER 'Trans proline' 0 CA--C 1.551 1.346 0 C-N-CA 124.053 3.169 . . . . 0.0 109.295 176.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -153.11 169.45 22.92 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.46 1.504 . . . . 0.0 111.419 176.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -155.41 151.76 23.19 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 125.99 1.716 . . . . 0.0 110.424 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -74.13 -9.03 21.7 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.402 2.068 . . . . 0.0 114.587 -177.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -87.57 -30.2 20.71 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.363 -0.836 . . . . 0.0 113.22 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -60.26 -27.49 67.29 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.328 1.051 . . . . 0.0 112.416 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -59.57 -38.68 81.79 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.105 1.762 . . . . 0.0 111.207 175.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.64 -43.9 21.95 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.344 1.058 . . . . 0.0 110.738 175.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 46.3 t -58.32 -36.75 59.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 O-C-N 121.486 -0.759 . . . . 0.0 111.353 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 66.7 m -59.42 -24.54 63.57 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 115.773 1.768 . . . . 0.0 115.773 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -90.03 -22.37 21.9 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.95 1.25 . . . . 0.0 112.515 175.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 10.7 mt -90.32 -54.03 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 126.073 1.749 . . . . 0.0 112.383 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -143.83 75.43 16.05 Favored Pre-proline 0 CA--C 1.556 1.19 0 C-N-CA 127.221 2.208 . . . . 0.0 111.312 -178.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -65.15 171.17 9.4 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 122.17 1.913 . . . . 0.0 113.107 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -63.66 -19.9 65.27 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 120.982 -1.074 . . . . 0.0 113.796 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 22.1 p -78.66 -52.76 7.96 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.19 1.796 . . . . 0.0 113.378 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 35.4 m -144.38 160.28 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 125.631 1.572 . . . . 0.0 113.874 -176.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 83.7 mtp -87.5 66.53 9.06 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.056 0.942 . . . . 0.0 108.877 172.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 12.0 tp -48.31 -27.67 2.66 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.219 1.808 . . . . 0.0 115.63 -173.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.3 -21.14 13.47 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 176.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 6.3 p -68.2 -17.56 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 O-C-N 121.015 -1.053 . . . . 0.0 112.272 175.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -133.15 -1.24 3.26 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.399 1.88 . . . . 0.0 115.206 -178.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -134.74 146.41 49.39 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.68 1.592 . . . . 0.0 111.982 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -99.85 145.49 17.43 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.949 1.261 . . . . 0.0 113.645 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 38.7 mt -80.55 152.45 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.415 1.486 . . . . 0.0 111.847 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 47.1 p-10 -69.11 27.18 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 128.552 2.741 . . . . 0.0 116.015 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 27.5 tp -53.47 -23.62 10.69 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.694 1.998 . . . . 0.0 113.151 178.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 34.9 mt -45.0 -27.11 0.5 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 129.244 3.018 . . . . 0.0 113.995 177.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.4 t -68.26 -13.37 62.2 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.211 1.804 . . . . 0.0 114.945 178.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.0 162.67 28.55 Favored Pre-proline 0 CA--C 1.555 1.145 0 C-N-CA 124.436 1.094 . . . . 0.0 113.917 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -56.95 152.92 40.64 Favored 'Trans proline' 0 CA--C 1.547 1.166 0 C-N-CA 123.662 2.908 . . . . 0.0 114.46 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -72.48 170.97 18.06 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 123.551 2.834 . . . . 0.0 112.616 178.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.05 150.41 88.53 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 124.14 0.976 . . . . 0.0 112.434 178.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -73.43 -14.59 25.14 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 123.456 2.771 . . . . 0.0 114.5 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 179.98 -179.25 48.81 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 125.204 1.383 . . . . 0.0 113.203 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 38.0 m -68.86 152.35 96.81 Favored Pre-proline 0 N--CA 1.472 0.633 0 C-N-CA 125.089 1.356 . . . . 0.0 111.55 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -74.4 -11.48 22.67 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 122.815 2.343 . . . . 0.0 114.535 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 . . . . . 0 N--CA 1.47 0.56 0 C-N-CA 125.816 1.647 . . . . 0.0 112.09 -179.752 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 68.8 m . . . . . 0 CA--C 1.543 0.698 0 CA-C-O 119.318 -0.372 . . . . 0.0 111.736 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -48.23 -45.54 25.63 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 124.326 3.35 . . . . 0.0 114.512 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -54.2 -50.23 67.56 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.566 1.146 . . . . 0.0 111.498 177.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -61.5 -51.07 70.15 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.833 0.853 . . . . 0.0 111.044 177.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 66.6 m -53.94 -44.53 70.75 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.789 0.836 . . . . 0.0 112.309 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -62.88 -52.72 62.0 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.364 1.466 . . . . 0.0 111.174 176.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -58.94 -31.72 68.94 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.841 1.657 . . . . 0.0 112.312 178.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 6.2 mp -73.46 -52.74 12.6 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.191 0.996 . . . . 0.0 109.695 174.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 37.8 m -52.17 -51.12 59.95 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.711 0.804 . . . . 0.0 112.692 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 16.7 tt -61.14 -50.43 80.54 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 124.098 0.959 . . . . 0.0 112.393 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -64.3 -39.28 93.61 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.608 1.094 . . . . 0.0 112.639 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 15.3 mmp_? -60.09 -54.06 50.36 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.415 1.086 . . . . 0.0 110.026 176.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 33.6 t -55.53 -38.83 69.77 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.134 0.574 . . . . 0.0 111.774 176.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 40.7 mt -64.83 -28.81 45.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 O-C-N 121.161 -0.962 . . . . 0.0 112.662 176.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -63.39 -46.37 86.75 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 120.651 1.568 . . . . 0.0 109.853 173.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 51.1 m -60.21 -38.76 84.32 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.983 1.313 . . . . 0.0 111.78 176.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 64.1 tp -60.5 -50.87 71.82 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.892 1.277 . . . . 0.0 110.556 176.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 95.2 t -56.37 -48.14 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.589 177.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 27.2 t60 -52.05 -58.21 7.22 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.01 0.823 . . . . 0.0 110.884 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.33 -28.46 63.12 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 97.1 m -78.12 -14.19 59.57 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 177.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -120.01 -14.1 8.93 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 9.2 t -59.28 121.64 11.89 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.693 1.597 . . . . 0.0 111.992 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -76.2 -13.8 60.17 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.777 2.031 . . . . 0.0 115.388 -175.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 30.3 t30 -131.55 111.6 11.89 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.819 1.247 . . . . 0.0 112.712 -176.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -57.63 -17.23 13.47 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 177.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -89.25 4.47 48.61 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.041 1.737 . . . . 0.0 113.8 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 49.5 t -46.35 123.85 5.19 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.961 2.104 . . . . 0.0 111.864 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 78.8 p -77.57 -1.53 31.16 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -176.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 16.2 tp -65.59 131.21 94.76 Favored Pre-proline 0 CA--C 1.548 0.894 0 CA-C-N 119.994 1.27 . . . . 0.0 110.505 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -54.92 -43.11 62.52 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 122.607 2.205 . . . . 0.0 113.095 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 68.6 m -62.47 -49.34 75.81 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.315 1.446 . . . . 0.0 112.748 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 12.9 t -56.5 -51.54 68.12 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.054 1.342 . . . . 0.0 110.118 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -55.11 -47.72 74.6 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.668 1.187 . . . . 0.0 112.742 177.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -57.38 -52.38 65.61 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 118.957 0.799 . . . . 0.0 111.178 176.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -44.17 77.65 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.938 0.895 . . . . 0.0 112.735 177.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -50.34 -36.8 33.73 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.963 0.801 . . . . 0.0 113.119 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -60.71 -57.82 11.1 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.652 1.114 . . . . 0.0 111.635 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 24.6 m -65.29 -34.39 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 118.529 0.604 . . . . 0.0 112.572 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 30.0 t -62.08 -50.19 81.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.808 1.243 . . . . 0.0 110.157 175.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -62.77 -28.64 70.12 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.788 0.835 . . . . 0.0 112.061 176.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 10.0 t60 -69.1 -65.72 0.67 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.678 0.791 . . . . 0.0 110.419 175.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 13.6 t -53.63 -35.08 60.56 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -175.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -73.53 -14.76 61.27 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 178.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -125.1 -9.68 5.03 Favored Glycine 0 CA--C 1.537 1.457 0 N-CA-C 116.479 1.351 . . . . 0.0 116.479 -177.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 47.6 t -58.59 144.24 43.56 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.218 1.407 . . . . 0.0 112.499 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 98.5 mttt -102.31 -4.5 25.52 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.508 1.923 . . . . 0.0 112.878 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -103.7 -58.73 1.83 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.446 1.898 . . . . 0.0 110.319 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 45.5 mtpt 54.54 177.37 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 128.522 2.729 . . . . 0.0 114.911 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 75.4 p -57.99 -37.41 74.19 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 120.667 -1.271 . . . . 0.0 113.453 -178.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -64.58 -24.29 67.55 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.226 1.011 . . . . 0.0 113.162 177.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -96.57 -21.31 22.13 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.916 1.246 . . . . 0.0 113.227 176.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 114.67 13.22 9.67 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 125.736 1.636 . . . . 0.0 115.798 179.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 20.7 t -60.38 120.89 55.87 Favored Pre-proline 0 CA--C 1.551 1.011 0 CA-C-N 119.254 1.527 . . . . 0.0 112.14 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -67.34 -39.95 11.87 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 123.041 2.494 . . . . 0.0 113.708 -178.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 61.5 t -58.0 -56.76 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.531 1.059 . . . . 0.0 110.725 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 56.2 m -53.52 -45.12 69.64 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.792 1.237 . . . . 0.0 110.53 177.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -41.85 78.22 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 118.466 -0.778 . . . . 0.0 112.473 177.158 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -61.4 -41.38 97.04 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.338 0.972 . . . . 0.0 111.372 178.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 6.1 mt -65.88 -53.33 41.01 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 122.927 0.491 . . . . 0.0 111.408 175.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 27.0 mm -58.05 -37.74 63.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 123.382 0.673 . . . . 0.0 112.26 -179.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -55.4 -49.6 71.95 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.59 1.087 . . . . 0.0 111.73 176.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 5.2 mp -68.16 -37.22 80.77 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.921 0.888 . . . . 0.0 111.579 177.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 76.2 m -60.5 -40.11 90.16 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.039 0.836 . . . . 0.0 110.656 174.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 84.7 m -64.89 -49.26 71.14 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.028 0.931 . . . . 0.0 111.333 176.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 38.5 t80 -60.12 -38.37 82.84 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.944 -0.473 . . . . 0.0 111.701 177.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 41.1 t60 -62.45 -58.41 7.73 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.107 0.963 . . . . 0.0 109.94 174.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -53.63 -30.47 43.0 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.69 1.596 . . . . 0.0 114.76 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -57.48 -47.23 82.43 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.468 1.507 . . . . 0.0 110.995 177.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 46.6 m80 -90.04 -27.45 19.71 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.603 1.961 . . . . 0.0 114.666 -178.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1834 ' ' CYS . . . . . 0.453 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 9.4 t -64.52 150.5 46.59 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.792 1.237 . . . . 0.0 113.567 -177.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -137.47 -3.78 1.89 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.372 1.869 . . . . 0.0 114.208 -178.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -75.72 113.39 13.13 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.738 -1.226 . . . . 0.0 111.613 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 36.1 t30 -60.35 -15.22 23.67 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -178.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -130.59 30.64 4.66 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 127.016 2.126 . . . . 0.0 113.279 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 33.3 t -48.82 134.68 14.12 Favored Pre-proline 0 CA--C 1.559 1.306 0 C-N-CA 126.172 1.789 . . . . 0.0 112.976 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -66.14 -21.9 54.97 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 123.587 2.858 . . . . 0.0 115.522 -177.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 75.9 t -65.16 116.61 31.87 Favored Pre-proline 0 N--CA 1.477 0.878 0 C-N-CA 124.553 1.141 . . . . 0.0 109.698 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -49.32 -50.46 12.89 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 124.114 3.209 . . . . 0.0 116.193 -176.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -78.55 -27.16 45.84 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -176.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 52.0 t -42.67 -67.65 0.25 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.456 1.902 . . . . 0.0 113.051 -177.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 63.3 mt -53.33 -35.75 60.53 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.481 1.512 . . . . 0.0 113.946 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -66.09 -48.96 69.21 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.514 0.597 . . . . 0.0 110.061 175.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 11.9 mm -58.17 -46.36 88.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 123.134 0.574 . . . . 0.0 110.669 176.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1848 ' ' LYS . . . . . 0.453 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 68.1 mttt -51.45 -44.54 62.41 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.347 0.976 . . . . 0.0 112.082 177.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 60.8 t60 -63.59 -51.98 62.98 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.434 0.694 . . . . 0.0 110.724 176.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 10.4 mptt -51.57 -41.22 61.0 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.181 1.393 . . . . 0.0 111.707 176.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 3.0 mp -60.18 -22.21 62.65 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.368 1.867 . . . . 0.0 115.145 177.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -104.29 -28.53 11.35 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.915 1.286 . . . . 0.0 111.579 175.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -72.12 -30.02 64.65 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.679 1.591 . . . . 0.0 112.522 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -63.07 167.41 4.93 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.414 1.486 . . . . 0.0 113.424 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 . . . . . 0 N--CA 1.472 0.674 0 C-N-CA 124.794 1.238 . . . . 0.0 112.084 178.033 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 78.1 p . . . . . 0 N--CA 1.47 0.563 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -128.6 45.09 2.84 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.871 2.068 . . . . 0.0 111.288 -178.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -54.66 127.92 30.23 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.215 1.806 . . . . 0.0 112.577 -178.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.7 150.13 96.57 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 124.245 1.018 . . . . 0.0 113.083 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -80.15 -120.03 0.01 OUTLIER 'Trans proline' 0 CA--C 1.551 1.365 0 C-N-CA 124.247 3.298 . . . . 0.0 108.991 175.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -151.54 169.13 22.83 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.432 1.493 . . . . 0.0 111.42 176.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -152.57 135.56 9.4 Favored Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 125.873 1.669 . . . . 0.0 109.833 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -65.7 -15.24 48.44 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 122.756 2.304 . . . . 0.0 115.342 -177.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -96.95 -12.96 22.72 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.784 1.234 . . . . 0.0 113.603 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.09 -31.56 67.23 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -172.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -65.42 -42.8 92.12 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.606 1.162 . . . . 0.0 110.931 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.55 -25.12 65.65 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.344 1.058 . . . . 0.0 113.188 177.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 22.3 t -82.29 -47.4 19.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.399 1.08 . . . . 0.0 110.173 175.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 53.2 m -53.27 -37.82 62.5 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.687 1.595 . . . . 0.0 114.321 -176.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -67.6 -24.53 65.5 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 16.8 mt -90.04 -55.7 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 127.165 2.186 . . . . 0.0 110.443 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -150.36 98.78 3.25 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 127.603 2.361 . . . . 0.0 111.64 177.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -76.92 172.28 16.47 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 122.915 2.41 . . . . 0.0 111.498 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -71.52 -20.26 62.07 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 120.952 -1.093 . . . . 0.0 113.527 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 18.8 t -74.43 -47.8 31.5 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.385 1.474 . . . . 0.0 114.489 -178.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.5 m -140.24 158.59 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 124.677 1.191 . . . . 0.0 114.02 -176.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 58.8 tpp -78.4 62.51 3.05 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.394 1.478 . . . . 0.0 110.851 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 41.7 tp -56.64 -25.21 52.75 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 120.785 -1.197 . . . . 0.0 112.635 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.52 -21.2 24.54 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.972 1.309 . . . . 0.0 113.898 175.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 2.7 p -73.69 -16.38 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 119.286 0.948 . . . . 0.0 112.846 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -123.6 -19.58 5.78 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.304 1.442 . . . . 0.0 113.872 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -71.16 155.94 40.16 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.839 1.256 . . . . 0.0 111.997 177.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -142.01 90.51 0.18 Allowed Glycine 0 CA--C 1.529 0.92 0 C-N-CA 126.525 2.012 . . . . 0.0 109.879 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.33 133.09 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.422 1.489 . . . . 0.0 112.846 -176.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -59.14 8.46 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 130.12 3.368 . . . . 0.0 117.663 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 59.7 tp -55.7 -21.31 17.85 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.506 1.522 . . . . 0.0 114.382 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.11 -36.1 50.04 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.487 1.915 . . . . 0.0 114.435 -177.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.7 t -84.97 -7.57 59.1 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 -176.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -78.91 147.95 71.24 Favored Pre-proline 0 CA--C 1.546 0.81 0 O-C-N 121.185 -0.947 . . . . 0.0 113.363 -177.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -74.83 162.18 37.9 Favored 'Trans proline' 0 CA--C 1.549 1.231 0 C-N-CA 123.52 2.813 . . . . 0.0 112.469 177.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -57.11 -29.8 84.59 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.936 3.091 . . . . 0.0 114.899 178.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -142.95 154.89 62.52 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 126.887 2.075 . . . . 0.0 110.87 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -65.19 115.85 3.54 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 123.31 2.673 . . . . 0.0 111.655 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -77.43 2.93 60.78 Favored Glycine 0 CA--C 1.54 1.6 0 N-CA-C 116.051 1.181 . . . . 0.0 116.051 -178.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 69.6 m -63.19 146.58 95.85 Favored Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 125.337 1.455 . . . . 0.0 111.427 178.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -73.89 -14.35 24.0 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 122.692 2.261 . . . . 0.0 114.989 -177.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 . . . . . 0 N--CA 1.472 0.658 0 C-N-CA 125.25 1.42 . . . . 0.0 111.908 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 61.1 m . . . . . 0 CA--C 1.541 0.612 0 N-CA-C 112.081 0.401 . . . . 0.0 112.081 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -50.44 -32.49 34.48 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 124.272 3.314 . . . . 0.0 115.191 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -60.38 -20.67 60.42 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.048 1.339 . . . . 0.0 113.284 177.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -58.7 -29.53 66.73 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.258 1.023 . . . . 0.0 111.704 176.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 88.9 p -57.9 -40.07 79.46 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.474 -0.766 . . . . 0.0 111.463 174.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -69.92 -41.85 74.08 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.259 1.023 . . . . 0.0 110.737 175.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -54.87 -48.98 72.25 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 119.73 1.15 . . . . 0.0 110.797 176.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 8.7 mp -66.72 -38.66 87.16 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.05 1.34 . . . . 0.0 111.656 177.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 72.1 m -69.24 -38.37 78.45 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.183 -0.948 . . . . 0.0 112.473 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 45.4 mt -57.79 -60.23 2.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 124.434 1.094 . . . . 0.0 109.429 176.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -59.05 -35.1 72.76 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -64.15 -53.6 46.89 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.893 0.877 . . . . 0.0 110.275 174.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 34.5 t -58.58 -31.85 68.41 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.475 0.71 . . . . 0.0 111.843 176.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 50.8 mt -64.49 -29.89 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 O-C-N 120.451 -1.406 . . . . 0.0 111.691 174.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -62.59 -43.54 98.57 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.369 1.441 . . . . 0.0 109.56 174.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 4.0 m -60.75 -43.9 97.39 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.989 1.715 . . . . 0.0 110.502 175.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.14 -59.27 5.34 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.126 1.771 . . . . 0.0 110.618 176.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 96.9 t -54.92 -48.16 75.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.211 1.004 . . . . 0.0 111.17 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 27.3 t60 -55.0 -59.85 4.18 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.464 0.706 . . . . 0.0 110.482 176.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.49 -28.98 63.9 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -178.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 60.9 m -73.14 -17.67 61.36 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 176.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -119.88 -14.56 8.94 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.869 1.268 . . . . 0.0 114.392 179.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 13.0 t -51.23 117.17 2.41 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.698 1.999 . . . . 0.0 112.21 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 66.3 mmt-85 -71.04 -5.71 33.43 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.989 1.716 . . . . 0.0 114.705 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 38.8 t30 -128.81 109.05 10.95 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.734 1.614 . . . . 0.0 112.243 -178.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.17 -13.66 8.06 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 177.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 15.9 m120 -109.3 10.24 25.66 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.195 1.798 . . . . 0.0 113.983 -178.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 49.4 t -44.05 114.59 0.69 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.179 2.192 . . . . 0.0 111.607 178.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 2.2 m -73.23 1.55 9.13 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 116.372 1.989 . . . . 0.0 116.372 -173.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 17.4 tp -62.37 126.86 88.9 Favored Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 124.802 1.241 . . . . 0.0 108.802 177.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -57.8 -34.29 98.04 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.325 2.017 . . . . 0.0 114.432 -174.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 8.3 p -66.29 -53.25 38.82 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.792 0.837 . . . . 0.0 111.031 174.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 9.8 t -56.13 -49.95 72.47 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.618 1.567 . . . . 0.0 110.869 178.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -46.94 -58.44 3.95 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.973 1.709 . . . . 0.0 111.298 175.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -63.48 -40.72 97.84 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 3.3 tpt -59.57 -41.59 90.54 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.353 0.524 . . . . 0.0 111.958 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 6.1 mptp? -54.81 -35.73 64.21 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.944 0.897 . . . . 0.0 112.598 177.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -60.78 -56.44 21.17 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.867 1.212 . . . . 0.0 111.356 176.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 16.2 m -63.85 -37.87 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 118.713 0.688 . . . . 0.0 112.442 178.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 41.4 t -60.99 -50.62 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.373 1.069 . . . . 0.0 110.692 176.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -62.83 -30.22 71.33 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.059 0.944 . . . . 0.0 112.099 176.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 5.8 t60 -68.21 -65.7 0.66 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.814 0.846 . . . . 0.0 110.356 176.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 13.4 t -53.66 -34.57 59.09 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -176.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -74.05 -10.11 59.3 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -143.22 6.86 2.03 Favored Glycine 0 CA--C 1.538 1.527 0 N-CA-C 117.415 1.726 . . . . 0.0 117.415 -176.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 41.1 t -55.81 146.76 20.72 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 119.355 1.577 . . . . 0.0 113.221 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -66.19 -23.0 66.37 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.531 1.932 . . . . 0.0 113.305 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -134.1 -30.33 1.2 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 -178.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 61.2 mtpt 55.6 -174.33 0.05 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.05 1.74 . . . . 0.0 113.883 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 9.9 p -55.99 -44.05 78.22 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.523 -1.36 . . . . 0.0 112.573 177.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -61.32 -22.0 64.49 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.403 1.081 . . . . 0.0 113.515 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -101.91 -6.25 49.39 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.82 1.676 . . . . 0.0 113.61 176.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 101.48 12.62 35.09 Favored Glycine 0 CA--C 1.537 1.446 0 N-CA-C 117.385 1.714 . . . . 0.0 117.385 176.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 14.6 t -62.71 120.41 59.8 Favored Pre-proline 0 CA--C 1.553 1.072 0 CA-C-N 120.17 1.985 . . . . 0.0 113.355 -178.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -66.44 -35.61 29.91 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.095 2.53 . . . . 0.0 114.057 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 58.6 t -62.68 -52.4 60.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 119.722 1.147 . . . . 0.0 110.199 178.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 58.3 m -55.78 -50.74 69.63 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.731 1.213 . . . . 0.0 110.097 176.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1821 ' ' LYS . . . . . 0.431 ' O ' ' HE2' ' A' 1821 ' ' LYS . 0.0 OUTLIER -53.27 -45.14 68.73 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.024 0.93 . . . . 0.0 110.903 176.868 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.62 -47.81 83.12 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.358 0.663 . . . . 0.0 112.206 177.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.58 -45.47 93.99 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.318 0.963 . . . . 0.0 111.048 176.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 26.9 mm -63.23 -33.98 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 123.691 0.797 . . . . 0.0 112.094 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -60.82 -39.65 89.83 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 120.413 1.46 . . . . 0.0 110.371 175.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.99 -44.71 79.68 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.865 0.866 . . . . 0.0 111.03 174.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 77.5 m -58.78 -35.94 73.62 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.7 0.8 . . . . 0.0 110.776 175.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 88.8 m -63.29 -52.61 61.26 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.962 0.905 . . . . 0.0 110.617 175.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 29.6 t80 -56.5 -42.96 79.21 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.339 0.972 . . . . 0.0 111.299 176.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 53.0 t60 -58.6 -61.58 2.49 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.07 0.548 . . . . 0.0 110.234 176.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -55.67 -32.17 63.01 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.464 1.506 . . . . 0.0 114.397 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -56.63 -48.0 78.48 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.979 1.712 . . . . 0.0 111.008 177.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 44.2 m80 -90.09 -21.22 22.4 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.412 1.885 . . . . 0.0 114.958 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1834 ' ' CYS . . . . . 0.426 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 6.8 t -65.37 165.01 12.55 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.854 1.261 . . . . 0.0 113.836 -178.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -153.18 -3.17 0.21 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.279 1.832 . . . . 0.0 115.111 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -73.13 128.71 36.26 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 120.778 -1.202 . . . . 0.0 112.029 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 36.3 t30 -67.83 -21.99 65.18 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -178.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -137.17 47.95 2.09 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.914 2.085 . . . . 0.0 111.722 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 11.9 t -54.99 135.41 67.18 Favored Pre-proline 0 CA--C 1.558 1.269 0 C-N-CA 125.584 1.553 . . . . 0.0 112.044 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -65.32 -19.49 61.9 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 123.478 2.785 . . . . 0.0 115.231 -177.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 81.2 t -72.02 116.56 49.75 Favored Pre-proline 0 N--CA 1.475 0.789 0 C-N-CA 124.823 1.249 . . . . 0.0 110.172 178.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -51.3 -47.71 24.67 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.953 3.102 . . . . 0.0 115.539 -178.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -76.88 -23.99 52.6 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 114.916 1.45 . . . . 0.0 114.916 -177.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 53.7 t -48.17 -67.11 0.3 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.36 1.464 . . . . 0.0 112.575 -177.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 1.3 mp -53.09 -38.95 63.01 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.095 1.358 . . . . 0.0 113.467 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -61.17 -50.1 74.52 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.59 0.756 . . . . 0.0 110.222 175.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 9.8 mm -59.78 -45.92 94.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 118.841 -0.599 . . . . 0.0 110.776 175.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1848 ' ' LYS . . . . . 0.426 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 66.1 mttt -50.97 -45.6 60.91 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 119.795 1.18 . . . . 0.0 111.055 176.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 57.2 t60 -62.32 -47.51 83.93 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.384 0.674 . . . . 0.0 111.143 175.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -54.33 -39.61 67.22 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.742 0.817 . . . . 0.0 112.026 177.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.16 -33.33 75.76 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.065 1.746 . . . . 0.0 113.775 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -85.85 -32.14 21.88 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 119.563 1.074 . . . . 0.0 113.418 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -73.56 -4.63 35.16 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -179.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -58.23 -26.19 62.57 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.208 1.403 . . . . 0.0 113.841 178.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 . . . . . 0 CA--C 1.539 0.521 0 C-N-CA 125.049 1.34 . . . . 0.0 111.447 178.942 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 42.6 m . . . . . 0 N--CA 1.47 0.559 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -67.58 -17.39 64.62 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.497 1.519 . . . . 0.0 114.13 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 25.3 ptp -147.19 172.01 14.47 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.745 2.018 . . . . 0.0 111.416 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.49 140.46 96.7 Favored Pre-proline 0 CA--C 1.553 1.086 0 C-N-CA 123.854 0.862 . . . . 0.0 112.51 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.58 -61.91 0.05 OUTLIER 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 123.548 2.832 . . . . 0.0 112.679 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -161.91 175.6 11.69 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 128.241 2.617 . . . . 0.0 110.273 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -145.89 130.06 8.68 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 124.95 1.3 . . . . 0.0 109.926 176.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -63.34 -19.17 67.68 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 122.685 2.257 . . . . 0.0 115.289 -175.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -82.12 -16.0 51.42 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.452 -0.78 . . . . 0.0 112.86 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -60.52 -30.28 69.64 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.619 1.1 . . . . 0.0 113.951 -176.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -64.17 -45.69 87.3 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.419 1.088 . . . . 0.0 111.019 177.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.44 -48.41 70.07 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.868 1.267 . . . . 0.0 110.893 176.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 74.0 t -52.86 -45.97 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.049 0.94 . . . . 0.0 110.065 176.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 71.1 m -58.86 -29.28 66.85 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -75.5 -20.74 58.55 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 120.647 1.567 . . . . 0.0 112.585 176.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 5.7 mt -90.19 -53.23 9.45 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 C-N-CA 125.458 1.503 . . . . 0.0 110.092 176.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -149.26 93.09 4.17 Favored Pre-proline 0 CA--C 1.558 1.285 0 C-N-CA 127.244 2.218 . . . . 0.0 111.87 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -75.74 171.24 18.56 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 124.283 3.322 . . . . 0.0 113.783 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -67.51 -19.56 65.32 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 23.1 p -75.49 -51.51 12.82 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.566 1.547 . . . . 0.0 113.247 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 35.1 m -144.47 157.27 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 125.737 1.615 . . . . 0.0 113.19 -177.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 8.1 tpt -74.38 52.75 0.49 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.966 2.106 . . . . 0.0 111.984 175.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 28.0 tp -45.68 -28.46 1.01 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 127.797 2.439 . . . . 0.0 115.603 -174.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.56 -16.75 17.01 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.529 1.132 . . . . 0.0 113.817 175.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 4.1 p -73.38 -14.72 16.78 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 C-N-CA 124.555 1.142 . . . . 0.0 112.343 174.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -131.86 -30.14 1.63 Allowed 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.23 169.16 18.82 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 120.231 1.378 . . . . 0.0 112.213 177.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.95 114.82 1.18 Allowed Glycine 0 CA--C 1.53 1.002 0 C-N-CA 124.1 0.857 . . . . 0.0 113.946 -177.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 67.1 mt -66.02 112.92 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 125.107 1.363 . . . . 0.0 109.512 176.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -76.29 67.23 2.51 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.802 1.241 . . . . 0.0 110.568 176.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 59.5 tp -53.47 -24.87 14.13 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 127.284 2.234 . . . . 0.0 113.285 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 16.1 mt -55.78 -22.02 22.19 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 127.877 2.471 . . . . 0.0 112.891 176.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.7 t -67.43 -14.01 62.54 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.468 1.907 . . . . 0.0 115.257 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -49.85 148.98 5.0 Favored Pre-proline 0 CA--C 1.55 0.977 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 -176.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -67.54 120.37 7.4 Favored 'Trans proline' 0 CA--C 1.547 1.128 0 C-N-CA 123.099 2.533 . . . . 0.0 111.719 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -76.37 174.98 11.93 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 123.422 2.748 . . . . 0.0 112.443 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -132.25 71.23 79.77 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 125.229 1.412 . . . . 0.0 111.602 178.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -70.17 -11.45 30.32 Favored 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 123.747 2.964 . . . . 0.0 114.499 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -81.71 6.62 64.95 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.58 1.562 . . . . 0.0 115.195 178.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 31.5 p -51.91 108.29 1.03 Allowed Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 127.817 2.447 . . . . 0.0 112.657 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -53.91 -34.26 75.43 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.601 2.868 . . . . 0.0 115.677 -177.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 . . . . . 0 N--CA 1.471 0.581 0 C-N-CA 124.924 1.29 . . . . 0.0 111.625 178.357 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 . . . . . 0 N--CA 1.476 0.866 0 N-CA-C 111.695 0.258 . . . . 0.0 111.695 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 6.5 mp -66.23 -43.42 86.65 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.514 1.126 . . . . 0.0 110.828 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 60.0 m -61.54 -43.0 99.65 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.491 -0.755 . . . . 0.0 111.136 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 52.6 mt -56.64 -61.59 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 124.784 1.233 . . . . 0.0 110.437 175.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -61.54 -34.01 74.81 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -178.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 71.5 mmt-85 -63.37 -49.9 72.02 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.081 0.855 . . . . 0.0 110.459 175.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 17.8 t -62.63 -31.97 72.92 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.287 0.635 . . . . 0.0 111.864 176.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 48.9 mt -64.66 -27.64 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 120.564 -1.335 . . . . 0.0 112.052 175.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -66.25 -40.02 89.91 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 120.456 -1.403 . . . . 0.0 109.363 173.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 3.3 m -63.16 -39.89 95.97 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.773 1.629 . . . . 0.0 110.951 175.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 54.9 tp -57.36 -57.75 11.28 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.271 1.428 . . . . 0.0 109.694 174.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 98.6 t -54.58 -51.42 50.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-O 118.36 -0.828 . . . . 0.0 110.439 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 18.2 t60 -51.29 -61.88 1.96 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.032 0.933 . . . . 0.0 111.033 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.45 -25.95 60.45 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -178.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 69.5 m -80.55 -14.8 57.92 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.236 1.015 . . . . 0.0 113.702 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -120.04 -12.45 9.12 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.201 1.4 . . . . 0.0 114.689 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 19.8 t -54.52 120.38 6.57 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 127.353 2.261 . . . . 0.0 111.913 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -68.69 -7.72 35.99 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.98 2.112 . . . . 0.0 116.384 -176.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 33.6 t30 -140.19 115.23 9.72 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.88 1.272 . . . . 0.0 112.464 -177.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -58.82 -17.26 22.05 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -95.19 6.94 47.66 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 126.68 1.992 . . . . 0.0 114.269 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 46.8 t -44.23 125.34 4.48 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.814 2.046 . . . . 0.0 113.152 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 38.7 m -79.77 -5.23 54.92 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -176.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.04 116.34 23.95 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 126.31 1.844 . . . . 0.0 108.506 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -47.35 -41.94 28.16 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.655 2.904 . . . . 0.0 115.356 -175.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 19.9 m -66.92 -42.78 84.78 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.394 0.677 . . . . 0.0 112.013 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 32.6 t -61.85 -50.98 70.08 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.474 1.51 . . . . 0.0 109.359 176.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -50.25 -50.22 50.7 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.546 1.138 . . . . 0.0 112.164 176.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 81.5 mttt -63.5 -46.44 86.11 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.286 1.034 . . . . 0.0 111.365 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 3.1 tpt -59.33 -41.18 88.55 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.232 1.013 . . . . 0.0 112.768 177.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -50.38 -39.66 47.35 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.23 1.412 . . . . 0.0 112.81 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -59.57 -58.19 9.67 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.255 0.934 . . . . 0.0 111.948 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 17.2 m -63.4 -36.77 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 118.437 0.562 . . . . 0.0 112.443 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 44.6 t -61.64 -50.67 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.24 1.016 . . . . 0.0 110.298 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -62.99 -30.32 71.5 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.211 1.004 . . . . 0.0 112.217 176.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 7.9 t60 -68.19 -66.4 0.57 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.926 0.891 . . . . 0.0 110.131 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 6.6 t -55.32 -34.05 63.84 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.873 1.435 . . . . 0.0 114.873 -175.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -71.07 -16.17 62.57 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -122.23 -12.88 5.06 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.119 1.342 . . . . 0.0 115.993 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 38.6 t -58.0 115.82 3.12 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.537 1.535 . . . . 0.0 111.992 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -71.34 -8.37 53.28 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.365 1.466 . . . . 0.0 113.324 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -106.89 -60.97 1.6 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.897 2.079 . . . . 0.0 111.13 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1812 ' ' LYS . . . . . . . . . . . . 0.307 2.7 ptpp? 46.08 -166.39 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 128.441 2.696 . . . . 0.0 114.804 -175.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 40.1 p -56.35 -30.19 62.34 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 120.693 -1.254 . . . . 0.0 113.105 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -60.21 -40.3 89.62 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.04 1.336 . . . . 0.0 112.141 176.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -96.08 -5.3 59.61 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.465 1.507 . . . . 0.0 114.555 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 99.6 13.29 38.44 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.371 1.462 . . . . 0.0 116.552 178.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 33.3 t -58.34 121.49 52.58 Favored Pre-proline 0 CA--C 1.553 1.086 0 CA-C-N 119.423 1.612 . . . . 0.0 111.83 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -66.81 -39.2 15.35 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 123.026 2.484 . . . . 0.0 114.204 -178.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 78.8 t -56.11 -58.48 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 124.602 1.161 . . . . 0.0 111.267 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 32.4 m -52.73 -43.13 65.5 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.708 1.603 . . . . 0.0 111.168 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.84 -46.0 90.64 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.632 1.173 . . . . 0.0 111.292 176.717 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -58.76 -42.78 89.72 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.294 0.952 . . . . 0.0 111.336 178.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -51.97 61.72 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.383 0.611 . . . . 0.0 111.053 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 53.0 mt -61.92 -30.54 48.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 125.138 1.375 . . . . 0.0 112.514 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.49 90.5 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.012 1.278 . . . . 0.0 111.227 175.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 6.0 mp -70.24 -39.21 75.17 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.338 1.055 . . . . 0.0 111.047 175.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 85.9 m -59.62 -38.3 80.95 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.416 0.553 . . . . 0.0 110.534 173.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 49.2 t -64.8 -51.93 59.56 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.903 1.281 . . . . 0.0 110.935 176.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 35.5 t80 -54.95 -44.96 74.81 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.167 0.587 . . . . 0.0 111.046 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 58.1 t60 -58.14 -60.72 3.3 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.796 0.839 . . . . 0.0 110.414 175.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -55.2 -33.57 63.16 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.533 1.533 . . . . 0.0 114.844 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -56.03 -44.17 78.5 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.821 1.648 . . . . 0.0 110.851 177.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -90.22 -27.63 19.39 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.75 1.62 . . . . 0.0 114.842 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 12.3 t -66.24 165.17 14.37 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.178 1.391 . . . . 0.0 112.994 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -153.16 -3.17 0.21 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.74 2.016 . . . . 0.0 114.783 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -71.85 113.47 8.91 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 120.771 -1.206 . . . . 0.0 111.098 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 31.7 t30 -61.24 -14.04 23.07 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -131.88 28.71 4.5 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.888 2.075 . . . . 0.0 113.534 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 7.8 t -48.73 136.4 13.26 Favored Pre-proline 0 CA--C 1.557 1.236 0 C-N-CA 126.549 1.939 . . . . 0.0 112.1 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -63.51 -23.64 70.75 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 123.41 2.74 . . . . 0.0 114.825 -177.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 95.3 t -69.94 121.81 84.02 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 124.622 1.169 . . . . 0.0 108.963 176.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -64.48 -43.62 13.32 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.718 2.279 . . . . 0.0 114.203 -175.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -70.62 -29.94 66.46 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 40.5 t -46.7 -65.62 0.53 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.6 1.56 . . . . 0.0 111.747 -178.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 58.3 mt -53.03 -38.28 62.27 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.142 1.377 . . . . 0.0 113.617 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -63.57 -51.61 64.64 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.52 0.6 . . . . 0.0 109.73 176.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 11.3 mm -58.15 -46.27 88.46 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-O 118.863 -0.589 . . . . 0.0 110.88 177.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -51.25 -44.66 61.8 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 119.742 1.155 . . . . 0.0 111.771 176.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 53.8 t60 -68.4 -36.51 79.22 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.931 0.892 . . . . 0.0 112.837 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -68.54 -41.28 80.08 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.506 1.523 . . . . 0.0 111.475 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 20.5 mt -56.05 -40.31 73.32 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.288 1.435 . . . . 0.0 111.886 176.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 176.892 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 CA--C 1.542 0.669 0 CA-C-O 120.904 0.383 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -145.55 117.74 5.17 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 125.131 1.372 . . . . 0.0 109.365 176.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -49.1 -32.24 23.53 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.716 2.944 . . . . 0.0 115.978 -178.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -73.62 -16.24 61.24 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.535 1.134 . . . . 0.0 113.035 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -60.03 -25.82 65.61 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 120.119 1.327 . . . . 0.0 113.641 -177.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -68.16 -32.55 72.89 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.557 1.143 . . . . 0.0 111.438 176.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.92 -29.11 55.54 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.42 1.088 . . . . 0.0 111.696 175.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 29.8 t -76.92 -49.97 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.261 1.025 . . . . 0.0 110.484 177.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 51.0 m -52.64 -41.49 63.81 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.091 1.756 . . . . 0.0 114.718 -176.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -66.65 -20.98 66.11 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' ILE . . . . . 0.431 HG21 HD11 ' B' ' 78' ' ' ILE . 10.4 mt -90.26 -55.05 6.66 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 C-N-CA 126.027 1.731 . . . . 0.0 110.043 175.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 16.1 p90 -150.7 100.06 3.12 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 127.93 2.492 . . . . 0.0 111.787 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -78.37 176.57 9.77 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 123.311 2.674 . . . . 0.0 112.154 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -67.02 -29.77 69.68 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.287 -0.883 . . . . 0.0 112.889 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 20.4 m -72.66 -46.53 53.42 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.821 1.785 . . . . 0.0 115.821 -176.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 35.0 m -143.77 162.05 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 124.657 1.183 . . . . 0.0 113.87 -175.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 48.6 tpp -80.5 64.5 5.32 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.922 1.289 . . . . 0.0 110.669 175.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 50.4 tp -56.45 -24.83 48.11 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.839 1.255 . . . . 0.0 113.068 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.04 -18.87 38.69 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.439 1.096 . . . . 0.0 113.55 175.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 2.6 p -72.5 -16.15 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.183 0.902 . . . . 0.0 112.617 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -125.16 -22.79 4.32 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.306 1.442 . . . . 0.0 114.101 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -72.19 155.72 39.93 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.304 1.042 . . . . 0.0 111.994 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -138.73 92.83 0.2 Allowed Glycine 0 CA--C 1.532 1.133 0 C-N-CA 125.813 1.673 . . . . 0.0 112.114 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' ILE . . . . . 0.431 HD11 HG21 ' B' ' 65' ' ' ILE . 74.0 mt -62.07 119.6 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.292 1.437 . . . . 0.0 110.239 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -80.19 64.84 5.14 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.184 1.394 . . . . 0.0 111.974 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 67.2 tp . . . . . 0 N--CA 1.475 0.802 0 C-N-CA 126.392 1.877 . . . . 0.0 114.279 -179.388 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.48 -42.31 92.37 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.755 1.222 . . . . 0.0 110.71 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 75.0 m -59.81 -47.93 83.73 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.922 0.889 . . . . 0.0 111.225 177.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 49.9 mt -55.51 -60.69 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 125.383 1.473 . . . . 0.0 110.531 177.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -61.42 -36.02 79.17 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.066 1.135 . . . . 0.0 114.066 -178.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -60.8 -55.66 30.43 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.333 1.053 . . . . 0.0 110.146 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 27.3 t -56.09 -38.5 70.79 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 122.984 0.514 . . . . 0.0 111.668 176.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 46.4 mt -60.57 -30.9 47.67 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 C-N-CA 123.911 0.884 . . . . 0.0 112.333 175.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -63.36 -45.9 89.03 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 120.717 1.599 . . . . 0.0 110.223 174.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 22.6 m -61.32 -39.36 90.21 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.808 1.243 . . . . 0.0 111.357 176.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.62 -52.65 63.5 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.214 1.406 . . . . 0.0 110.755 176.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 86.4 t -56.8 -49.55 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-O 118.705 -0.664 . . . . 0.0 109.968 176.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 30.3 t60 -52.53 -57.1 11.01 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.764 0.825 . . . . 0.0 110.535 176.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -55.5 -31.41 62.02 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 87.2 m -76.14 -14.48 60.17 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -120.04 -12.87 9.06 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 8.8 t -61.75 107.3 0.8 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.113 1.765 . . . . 0.0 112.261 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -3.2 20.98 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 -177.392 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 31.6 t30 -136.4 109.31 7.62 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.611 1.096 . . . . 0.0 112.084 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -57.85 -16.25 11.13 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -88.56 3.53 50.03 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.906 1.683 . . . . 0.0 113.543 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 49.7 t -46.71 124.68 6.33 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.018 2.127 . . . . 0.0 111.542 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 16.4 m -74.79 -2.65 27.58 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 116.395 1.998 . . . . 0.0 116.395 -174.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 12.5 tp -64.96 132.08 95.38 Favored Pre-proline 0 CA--C 1.546 0.789 0 CA-C-N 120.805 1.639 . . . . 0.0 109.294 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -63.51 -35.9 57.41 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 121.959 1.773 . . . . 0.0 113.159 -176.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 16.5 p -72.2 -44.04 63.58 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.803 1.241 . . . . 0.0 113.144 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 43.7 t -57.2 -44.31 83.54 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.481 1.512 . . . . 0.0 113.172 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -61.81 -52.32 64.68 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.587 1.555 . . . . 0.0 110.83 -177.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1798 ' ' LYS . . . . . 0.453 ' HE3' ' HA ' ' B' ' 68' ' ' ASP . 3.3 tppt? -62.4 -50.97 69.41 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.179 1.392 . . . . 0.0 110.655 175.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 63.0 tpp -52.72 -42.73 65.14 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.385 1.074 . . . . 0.0 111.666 177.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -51.95 -42.72 63.07 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.489 1.116 . . . . 0.0 112.983 176.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -60.32 -43.28 96.54 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 119.66 1.118 . . . . 0.0 111.496 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 1.7 t -68.22 -44.16 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.053 0.941 . . . . 0.0 110.962 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 55.4 t -59.09 -44.06 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.757 1.223 . . . . 0.0 110.294 176.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -66.59 -25.96 66.87 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.972 1.309 . . . . 0.0 112.669 176.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 7.3 t60 -69.91 -66.63 0.57 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.897 0.879 . . . . 0.0 109.779 176.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 6.0 t -55.7 -36.35 67.07 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -174.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -66.4 -14.03 61.54 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -134.87 3.39 4.16 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 125.067 1.318 . . . . 0.0 116.093 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 49.7 t -57.81 130.04 44.64 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.031 1.416 . . . . 0.0 112.804 -178.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 99.2 mttt -72.81 -8.17 54.2 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.71 1.604 . . . . 0.0 112.998 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -118.71 -56.28 2.13 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.515 1.926 . . . . 0.0 111.719 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 33.6 tttt 54.05 -174.17 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 127.439 2.295 . . . . 0.0 113.54 -177.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 40.0 p -58.56 -30.1 66.89 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 120.514 -1.366 . . . . 0.0 112.807 177.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -59.5 -40.09 85.93 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.923 1.289 . . . . 0.0 112.02 176.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -93.06 -6.44 63.24 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.096 1.331 . . . . 0.0 114.116 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 97.69 15.16 38.04 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.647 1.594 . . . . 0.0 116.219 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 20.6 t -56.97 119.49 30.96 Favored Pre-proline 0 CA--C 1.552 1.046 0 CA-C-N 119.432 1.616 . . . . 0.0 111.91 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -65.53 -38.82 23.76 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.008 2.472 . . . . 0.0 113.998 -177.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 59.2 t -55.94 -58.02 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-N 119.642 1.11 . . . . 0.0 110.231 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 37.4 m -53.05 -46.17 68.41 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.884 1.674 . . . . 0.0 110.742 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.65 -43.46 72.36 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.868 0.867 . . . . 0.0 112.067 177.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -60.41 -42.97 97.1 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.437 1.017 . . . . 0.0 111.566 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 8.1 mt -66.59 -53.33 35.53 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.037 0.535 . . . . 0.0 111.488 176.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 34.4 mm -57.73 -35.1 49.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 123.998 0.919 . . . . 0.0 112.084 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -58.36 -52.16 66.76 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 119.503 1.047 . . . . 0.0 111.341 175.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 4.6 mp -68.01 -36.26 79.67 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.725 0.81 . . . . 0.0 111.848 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 84.7 m -60.27 -42.31 95.13 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.173 0.897 . . . . 0.0 110.352 172.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 49.0 t -63.92 -49.39 72.8 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.682 1.193 . . . . 0.0 111.141 177.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 29.1 t80 -57.11 -44.81 83.61 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.954 -0.466 . . . . 0.0 111.355 176.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 45.6 t60 -57.97 -57.19 13.9 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.095 0.958 . . . . 0.0 110.336 175.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -54.47 -30.01 51.75 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.565 1.546 . . . . 0.0 114.574 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -55.35 -50.79 68.76 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.713 1.605 . . . . 0.0 110.889 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -90.15 -25.91 20.44 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.651 1.58 . . . . 0.0 114.73 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1834 ' ' CYS . . . . . 0.448 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 9.6 t -62.21 144.1 55.94 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.001 0.92 . . . . 0.0 113.156 -177.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -132.29 -1.36 3.59 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.531 1.933 . . . . 0.0 113.787 -176.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -77.01 115.24 16.63 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.7 -1.25 . . . . 0.0 111.273 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -59.7 -21.9 61.25 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -178.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -127.22 32.85 4.99 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.449 1.9 . . . . 0.0 113.545 -177.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 19.3 t -49.27 135.06 16.52 Favored Pre-proline 0 CA--C 1.56 1.336 0 C-N-CA 126.198 1.799 . . . . 0.0 112.589 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -65.08 -21.72 62.72 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 123.589 2.859 . . . . 0.0 115.564 -176.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 93.6 t -69.43 114.47 24.36 Favored Pre-proline 0 N--CA 1.476 0.862 0 C-N-CA 124.782 1.233 . . . . 0.0 109.396 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -52.46 -44.09 49.63 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 123.611 2.874 . . . . 0.0 115.267 -177.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -78.32 -24.91 46.4 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 -177.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 42.6 t -49.83 -67.56 0.25 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.31 1.444 . . . . 0.0 111.843 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 73.9 mt -51.36 -40.02 58.3 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.344 1.858 . . . . 0.0 113.249 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -63.04 -49.51 74.31 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.003 0.921 . . . . 0.0 110.504 176.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 7.5 mm -58.83 -44.71 91.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-O 118.553 -0.737 . . . . 0.0 110.73 174.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1848 ' ' LYS . . . . . 0.448 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 65.0 mttt -52.7 -44.84 66.58 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 120.018 1.281 . . . . 0.0 111.389 176.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 46.7 t60 -60.23 -51.08 71.07 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 122.846 0.458 . . . . 0.0 110.605 175.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -53.44 -45.43 69.47 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.143 0.977 . . . . 0.0 111.724 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 5.1 mp -57.61 -47.2 82.83 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.831 1.652 . . . . 0.0 111.841 176.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 . . . . . 0 N--CA 1.48 1.031 0 C-N-CA 124.225 1.01 . . . . 0.0 113.661 177.37 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 CA--C 1.541 0.598 0 CA-C-O 121.229 0.538 . . . . 0.0 111.708 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -157.65 117.61 1.95 Allowed Pre-proline 0 CA--C 1.543 0.693 0 C-N-CA 126.301 1.84 . . . . 0.0 109.183 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -48.33 -32.93 21.07 Favored 'Trans proline' 0 CA--C 1.537 0.645 0 C-N-CA 123.544 2.829 . . . . 0.0 115.847 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -70.66 -20.06 62.74 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.174 0.989 . . . . 0.0 113.175 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -61.15 -28.01 68.8 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.278 0.945 . . . . 0.0 112.409 -177.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -61.37 -37.66 84.18 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.36 1.464 . . . . 0.0 111.074 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.01 -32.41 24.94 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.926 1.29 . . . . 0.0 112.764 177.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 79.1 t -67.84 -46.04 83.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.219 1.008 . . . . 0.0 110.35 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 32.0 t -46.95 -51.04 17.93 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.9 2.08 . . . . 0.0 114.654 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -64.15 -22.3 66.88 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' ILE . . . . . 0.405 HG21 HD11 ' B' ' 78' ' ' ILE . 17.3 mt -90.08 -54.59 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.704 1.602 . . . . 0.0 109.978 178.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -153.61 99.32 2.62 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 128.395 2.678 . . . . 0.0 111.474 178.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -80.3 167.44 19.48 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 123.166 2.577 . . . . 0.0 111.765 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' ASP . . . . . 0.453 ' HA ' ' HE3' ' A' 1798 ' ' LYS . 36.5 t70 -60.77 -20.09 60.68 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 178.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 59.6 p -87.27 -19.26 28.54 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 p -156.39 150.69 9.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 120.512 1.506 . . . . 0.0 114.515 -177.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.65 33.01 0.08 Allowed 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 127.263 2.225 . . . . 0.0 112.94 173.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 51.7 tp -40.17 -24.63 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 127.471 2.309 . . . . 0.0 116.131 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.85 -28.7 16.78 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.653 1.181 . . . . 0.0 112.987 173.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.92 -14.76 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.593 1.157 . . . . 0.0 113.159 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -114.24 -30.33 6.65 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.13 1.772 . . . . 0.0 112.927 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -66.44 163.71 17.84 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.421 1.888 . . . . 0.0 113.824 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.74 82.25 0.16 Allowed Glycine 0 CA--C 1.533 1.175 0 C-N-CA 125.947 1.737 . . . . 0.0 111.889 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' ILE . . . . . 0.405 HD11 HG21 ' B' ' 65' ' ' ILE . 80.2 mt -55.6 127.74 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.883 1.673 . . . . 0.0 111.528 -179.273 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -75.06 65.63 1.51 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.843 1.657 . . . . 0.0 113.589 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 65.5 tp . . . . . 0 CA--C 1.548 0.869 0 O-C-N 121.127 -0.983 . . . . 0.0 112.082 175.542 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.55 -34.97 79.1 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.948 1.299 . . . . 0.0 112.638 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 79.3 p -63.63 -44.19 94.61 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.098 0.863 . . . . 0.0 111.368 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 73.5 mt -54.81 -63.72 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 125.862 1.665 . . . . 0.0 110.332 176.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -59.44 -36.12 75.32 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -66.41 -51.29 58.48 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 118.987 0.812 . . . . 0.0 110.778 175.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 28.5 t -57.12 -36.87 71.19 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.341 0.656 . . . . 0.0 111.373 176.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 42.3 mt -59.51 -30.11 43.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 121.032 -1.043 . . . . 0.0 112.426 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -62.84 -47.63 82.56 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 120.455 1.48 . . . . 0.0 109.947 174.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 22.0 m -58.81 -41.19 86.21 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.343 1.457 . . . . 0.0 111.243 174.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 5.3 tt -59.42 -52.58 65.01 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.223 1.809 . . . . 0.0 110.45 177.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 83.9 t -56.74 -49.61 77.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.948 0.899 . . . . 0.0 110.416 176.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 22.3 t60 -52.01 -56.87 11.62 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.918 0.781 . . . . 0.0 110.724 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -55.96 -30.15 61.28 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 89.5 m -78.51 -14.13 59.5 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 177.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -119.46 -11.37 9.5 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.603 1.335 . . . . 0.0 114.603 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 8.2 t -59.49 123.73 17.78 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.67 1.588 . . . . 0.0 112.601 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -76.85 -5.87 50.12 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.718 2.007 . . . . 0.0 115.794 -177.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 37.8 t30 -135.9 112.72 10.21 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.031 1.332 . . . . 0.0 112.457 -177.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -58.69 -16.31 15.82 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.69 1.366 . . . . 0.0 114.69 178.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -92.52 0.23 57.41 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.989 1.716 . . . . 0.0 114.432 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 49.1 t -44.93 110.72 0.25 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.906 2.082 . . . . 0.0 112.904 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 99.3 p -72.38 -0.96 13.79 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 -175.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 19.2 tp -61.36 124.43 80.7 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 125.257 1.423 . . . . 0.0 110.467 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -47.55 -42.24 29.25 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 123.498 2.798 . . . . 0.0 114.287 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 33.7 m -58.0 -53.06 62.45 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.574 1.55 . . . . 0.0 112.005 176.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 4.3 t -63.09 -51.52 66.26 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.16 1.784 . . . . 0.0 110.578 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -48.27 -56.33 8.29 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.193 1.797 . . . . 0.0 112.179 176.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 82.3 mttt -60.2 -44.03 95.45 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.213 1.005 . . . . 0.0 111.736 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 14.6 mmt -62.25 -43.47 98.75 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 176.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -47.48 -40.76 19.16 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.368 1.067 . . . . 0.0 112.485 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -61.76 -58.88 6.3 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.179 0.992 . . . . 0.0 111.923 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 19.4 m -63.31 -39.02 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 118.728 0.695 . . . . 0.0 112.598 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 46.2 t -59.22 -49.61 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.826 1.25 . . . . 0.0 110.458 175.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -62.01 -31.68 72.08 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.927 0.891 . . . . 0.0 112.208 176.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.7 t60 -68.96 -63.63 1.02 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.611 0.764 . . . . 0.0 110.82 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 13.0 t -54.79 -31.02 58.4 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 114.673 1.361 . . . . 0.0 114.673 -176.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -77.61 -11.59 59.88 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -134.27 -1.94 3.45 Favored Glycine 0 CA--C 1.538 1.522 0 N-CA-C 117.095 1.598 . . . . 0.0 117.095 -176.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 43.4 t -55.34 136.97 48.76 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.396 1.598 . . . . 0.0 112.331 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -72.24 -11.67 60.82 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.654 1.581 . . . . 0.0 114.136 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -135.21 -32.23 0.95 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 27.6 mtpp 53.61 -168.14 0.06 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.115 1.766 . . . . 0.0 113.611 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 20.2 p -57.96 -32.27 67.69 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.728 1.211 . . . . 0.0 112.145 175.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -58.26 -42.51 86.62 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.1 1.36 . . . . 0.0 111.809 176.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -88.24 -3.44 78.88 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 125.46 1.505 . . . . 0.0 113.955 176.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 93.01 17.91 41.97 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.729 1.633 . . . . 0.0 116.71 176.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 8.1 t -58.84 116.68 16.39 Favored Pre-proline 0 CA--C 1.552 1.026 0 CA-C-N 119.758 1.779 . . . . 0.0 112.744 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -57.45 -42.81 57.51 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 123.207 2.605 . . . . 0.0 113.795 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 59.5 t -55.16 -59.02 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.842 1.257 . . . . 0.0 110.694 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 21.3 m -52.71 -48.72 66.44 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.555 1.542 . . . . 0.0 110.138 177.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1821 ' ' LYS . . . . . 0.409 ' O ' ' HE2' ' A' 1821 ' ' LYS . 0.0 OUTLIER -53.96 -46.36 71.59 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.345 1.058 . . . . 0.0 111.699 177.317 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -60.97 -42.16 97.8 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.322 0.964 . . . . 0.0 111.97 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.62 -50.01 66.61 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.561 0.619 . . . . 0.0 111.072 177.295 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 41.1 mm -61.18 -32.39 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 124.564 1.146 . . . . 0.0 112.0 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -57.25 -48.17 79.54 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 120.015 1.279 . . . . 0.0 111.239 175.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 6.7 mp -68.66 -39.61 80.57 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.186 0.994 . . . . 0.0 111.207 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 73.4 m -59.69 -38.05 80.5 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 118.877 0.762 . . . . 0.0 110.642 173.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 24.3 t -66.52 -50.67 62.42 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.952 1.301 . . . . 0.0 111.216 176.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 44.5 t80 -55.81 -46.36 78.07 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.258 0.623 . . . . 0.0 110.621 175.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 43.6 t60 -56.74 -63.83 1.07 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.426 1.09 . . . . 0.0 110.05 175.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -50.14 -42.15 50.2 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.762 1.625 . . . . 0.0 114.564 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -56.52 -45.68 80.97 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.509 1.924 . . . . 0.0 111.589 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -90.1 -17.79 27.06 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1834 ' ' CYS . . . . . 0.455 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 11.4 t -68.83 165.1 20.47 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.061 1.745 . . . . 0.0 112.863 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.05 -4.25 0.42 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.005 1.722 . . . . 0.0 115.109 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -74.64 120.0 19.59 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 120.825 -1.172 . . . . 0.0 111.554 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -62.16 -23.51 66.64 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -127.12 33.99 4.81 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 126.686 1.995 . . . . 0.0 113.305 -177.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 10.4 t -49.71 134.35 19.93 Favored Pre-proline 0 CA--C 1.559 1.315 0 C-N-CA 126.135 1.774 . . . . 0.0 112.541 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -65.86 -22.34 56.44 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 123.625 2.883 . . . . 0.0 115.62 -176.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 82.0 t -66.85 115.53 25.9 Favored Pre-proline 0 N--CA 1.477 0.875 0 C-N-CA 124.534 1.133 . . . . 0.0 109.566 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -51.42 -46.42 31.62 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.747 2.965 . . . . 0.0 115.289 -177.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -76.12 -28.51 57.49 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 114.633 1.345 . . . . 0.0 114.633 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 42.4 t -45.84 -67.77 0.25 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.87 1.668 . . . . 0.0 112.3 -177.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 59.6 mt -54.39 -35.59 63.01 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.337 1.455 . . . . 0.0 113.489 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -64.56 -51.12 64.42 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.683 0.674 . . . . 0.0 110.004 175.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 10.0 mm -56.87 -45.82 83.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.754 176.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1848 ' ' LYS . . . . . 0.455 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 67.9 mttt -53.14 -45.46 68.41 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 120.164 1.347 . . . . 0.0 111.657 176.606 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 56.5 t60 -61.96 -49.87 74.39 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.281 0.633 . . . . 0.0 110.8 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -54.96 -41.23 70.87 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.084 1.354 . . . . 0.0 111.661 176.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.7 mp -63.94 -43.1 96.89 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.659 1.584 . . . . 0.0 111.606 175.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.938 0 C-N-CA 124.528 1.131 . . . . 0.0 113.184 176.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 CA--C 1.544 0.733 0 CA-C-O 120.832 0.349 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -145.9 121.19 5.61 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 125.586 1.555 . . . . 0.0 109.392 177.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -50.6 -30.62 28.93 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 123.539 2.826 . . . . 0.0 115.966 -178.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -77.26 -16.45 59.0 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.549 1.14 . . . . 0.0 113.626 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -59.31 -32.74 70.34 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -175.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -62.0 -33.07 73.65 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.565 1.146 . . . . 0.0 111.659 178.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.69 -22.82 53.41 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.269 1.028 . . . . 0.0 112.421 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 12.2 t -80.64 -48.65 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 123.891 0.876 . . . . 0.0 109.754 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 65.6 m -49.74 -45.37 49.28 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.18 1.792 . . . . 0.0 114.619 -178.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -64.87 -23.64 67.29 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' ILE . . . . . 0.442 HG21 HD11 ' B' ' 78' ' ' ILE . 10.2 mt -90.14 -55.65 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 126.266 1.826 . . . . 0.0 110.617 176.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -151.09 101.15 3.01 Favored Pre-proline 0 CA--C 1.549 0.916 0 C-N-CA 127.983 2.513 . . . . 0.0 111.392 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -74.52 174.03 13.3 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 122.811 2.34 . . . . 0.0 111.665 177.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -73.32 -18.75 61.16 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 120.923 -1.111 . . . . 0.0 113.154 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 26.9 p -74.57 -51.56 14.27 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.412 1.885 . . . . 0.0 113.876 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 29.0 m -138.71 154.71 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.668 1.587 . . . . 0.0 112.399 -178.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 67.8 mtp -83.08 66.59 8.75 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.492 -0.755 . . . . 0.0 111.257 176.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 32.5 tp -52.16 -22.08 3.92 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.493 1.917 . . . . 0.0 113.363 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.82 -23.27 17.48 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.049 1.34 . . . . 0.0 113.133 174.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 4.6 p -67.92 -17.46 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.481 1.112 . . . . 0.0 112.911 176.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -126.69 -16.96 5.12 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.326 1.45 . . . . 0.0 114.426 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -71.48 160.03 33.45 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.971 1.308 . . . . 0.0 112.413 177.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -144.97 87.14 0.17 Allowed Glycine 0 CA--C 1.534 1.242 0 C-N-CA 125.692 1.615 . . . . 0.0 112.14 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' ILE . . . . . 0.442 HD11 HG21 ' B' ' 65' ' ' ILE . 85.4 mt -60.81 125.68 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.895 1.678 . . . . 0.0 111.293 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -81.35 65.8 6.63 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.123 1.369 . . . . 0.0 111.913 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 64.6 tp . . . . . 0 CA--C 1.547 0.845 0 C-N-CA 126.283 1.833 . . . . 0.0 114.043 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 120.446 0.165 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.75 -42.72 94.94 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.364 1.466 . . . . 0.0 110.631 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 73.8 m -59.17 -52.75 64.37 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.659 0.663 . . . . 0.0 110.433 176.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 40.8 mt -52.31 -58.43 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 125.232 1.413 . . . . 0.0 111.289 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -62.23 -40.41 96.04 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -178.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 84.5 mmt-85 -58.75 -45.52 89.55 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 119.831 1.196 . . . . 0.0 111.215 176.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 62.1 m -62.9 -33.15 74.7 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.685 -0.635 . . . . 0.0 111.383 175.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 54.6 mt -69.89 -35.4 64.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.325 1.05 . . . . 0.0 111.82 175.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -59.42 -44.94 92.78 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.461 1.482 . . . . 0.0 109.553 172.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 31.3 t -60.33 -44.85 95.11 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.048 0.939 . . . . 0.0 111.428 174.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 58.1 tp -55.27 -53.43 56.24 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.187 1.395 . . . . 0.0 111.105 177.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 86.4 t -56.08 -51.14 65.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.694 178.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 32.1 t60 -52.43 -57.75 8.88 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.85 0.75 . . . . 0.0 110.929 177.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -56.3 -31.08 63.34 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 87.1 m -77.33 -13.39 59.94 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 177.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -119.34 -14.5 9.2 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 9.2 t -61.76 114.68 3.45 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.856 1.662 . . . . 0.0 112.056 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -70.79 -6.27 36.47 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.75 2.02 . . . . 0.0 116.094 -177.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 32.4 t30 -136.12 111.96 9.5 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.476 1.111 . . . . 0.0 112.402 -177.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.35 -15.56 17.16 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 177.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -92.15 6.97 44.58 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.307 1.843 . . . . 0.0 113.681 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 52.9 t -45.2 129.52 7.88 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.868 2.067 . . . . 0.0 112.147 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 15.7 m -68.41 -8.65 42.35 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 116.213 1.931 . . . . 0.0 116.213 -174.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 13.3 tp -74.53 128.04 86.4 Favored Pre-proline 0 CA--C 1.549 0.92 0 CA-C-N 120.132 1.333 . . . . 0.0 112.035 -177.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -54.24 -43.83 54.98 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.702 2.268 . . . . 0.0 113.023 177.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 16.1 m -61.63 -48.54 80.42 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.065 1.346 . . . . 0.0 112.021 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 34.7 t -56.73 -54.23 48.67 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.154 1.382 . . . . 0.0 109.765 177.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -50.83 -55.09 18.56 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.243 1.417 . . . . 0.0 111.988 176.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -56.38 -49.7 73.69 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.698 1.199 . . . . 0.0 112.15 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 49.3 tpp -61.28 -43.94 98.05 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.669 1.188 . . . . 0.0 112.64 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -50.77 -44.53 58.73 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.442 1.497 . . . . 0.0 113.032 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.58 -47.42 79.58 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.673 0.789 . . . . 0.0 111.732 177.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 1.8 t -69.0 -41.26 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 123.704 0.802 . . . . 0.0 111.676 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 40.8 t -57.01 -47.52 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.795 0.838 . . . . 0.0 109.429 174.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -67.4 -27.87 67.44 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.454 0.702 . . . . 0.0 112.811 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.8 t60 -65.51 -64.69 0.8 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.035 0.834 . . . . 0.0 109.028 173.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 12.2 t -56.75 -31.78 64.92 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -178.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -60.46 -27.2 67.35 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.036 1.734 . . . . 0.0 113.883 176.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -130.53 -1.95 5.03 Favored Glycine 0 CA--C 1.538 1.525 0 N-CA-C 117.453 1.741 . . . . 0.0 117.453 -177.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 49.9 t -55.45 128.14 32.93 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.633 1.716 . . . . 0.0 113.263 -178.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 23.2 tptm -71.87 -16.55 62.14 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.151 1.78 . . . . 0.0 112.708 178.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 58.2 ttm-85 -108.69 -57.26 2.16 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.994 1.718 . . . . 0.0 112.92 -178.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1812 ' ' LYS . . . . . . . . . . . . 0.28 19.0 ptmt 49.07 -170.47 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 128.199 2.6 . . . . 0.0 114.777 -175.185 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 10.4 p -53.62 -39.63 65.08 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.956 1.302 . . . . 0.0 112.622 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 30.0 t30 -54.82 -34.34 62.67 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.592 1.557 . . . . 0.0 112.99 176.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -104.19 6.65 46.88 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 126.139 1.828 . . . . 0.0 114.296 178.021 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 84.54 16.03 67.13 Favored Glycine 0 CA--C 1.538 1.47 0 N-CA-C 116.866 1.506 . . . . 0.0 116.866 178.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 18.3 t -59.32 114.93 10.45 Favored Pre-proline 0 CA--C 1.555 1.154 0 CA-C-N 119.726 1.763 . . . . 0.0 112.128 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -58.81 -43.7 41.87 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.106 2.538 . . . . 0.0 113.867 -179.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 52.9 t -54.85 -57.24 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 124.515 1.126 . . . . 0.0 111.404 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 41.7 m -54.87 -48.79 72.51 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.322 1.449 . . . . 0.0 111.142 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.09 -50.21 71.66 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.091 1.356 . . . . 0.0 110.897 176.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -56.8 -44.85 82.33 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.28 1.032 . . . . 0.0 111.575 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.5 -53.07 61.23 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.156 0.889 . . . . 0.0 110.367 176.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 39.6 mt -58.09 -29.34 36.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 126.106 1.763 . . . . 0.0 113.105 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -55.35 -46.75 76.42 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 120.041 1.291 . . . . 0.0 111.791 176.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.53 -38.41 80.84 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.779 1.232 . . . . 0.0 110.804 176.549 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 68.0 m -59.71 -41.85 91.73 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.865 0.757 . . . . 0.0 111.016 174.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 94.6 m -63.12 -49.82 72.91 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.313 1.045 . . . . 0.0 111.363 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 40.1 t80 -58.96 -45.5 90.34 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.949 0.499 . . . . 0.0 111.12 176.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 39.5 t60 -56.34 -60.54 3.37 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.319 1.048 . . . . 0.0 110.535 176.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -52.21 -38.69 58.7 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.459 1.504 . . . . 0.0 114.677 -178.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -56.98 -44.32 82.55 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.43 1.492 . . . . 0.0 111.36 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -90.09 -20.32 23.3 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1834 ' ' CYS . . . . . 0.492 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 11.4 t -67.55 165.02 17.73 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.516 1.526 . . . . 0.0 113.319 -179.598 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -149.79 -5.2 0.36 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.119 1.768 . . . . 0.0 115.308 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -75.69 111.17 10.75 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 120.739 -1.225 . . . . 0.0 111.42 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -59.09 -11.35 3.51 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -134.04 28.64 3.8 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 127.168 2.187 . . . . 0.0 112.963 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 12.8 t -47.94 135.51 11.22 Favored Pre-proline 0 CA--C 1.559 1.313 0 C-N-CA 126.612 1.965 . . . . 0.0 113.109 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -65.59 -23.44 57.04 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 123.729 2.953 . . . . 0.0 115.651 -176.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 74.5 t -64.99 116.18 27.58 Favored Pre-proline 0 N--CA 1.476 0.87 0 C-N-CA 124.65 1.18 . . . . 0.0 109.954 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -48.48 -50.33 12.53 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 124.34 3.36 . . . . 0.0 116.164 -176.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -77.91 -24.65 48.27 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 47.1 t -43.33 -68.33 0.2 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.117 1.767 . . . . 0.0 113.168 -176.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 55.3 mt -54.39 -35.62 63.05 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.376 1.47 . . . . 0.0 113.816 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 49.2 t30 -64.25 -49.25 72.63 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.999 0.919 . . . . 0.0 110.126 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 15.0 mm -58.93 -48.66 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 O-C-N 121.751 -0.593 . . . . 0.0 110.582 175.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1848 ' ' LYS . . . . . 0.492 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 70.0 mttt -51.2 -47.79 62.17 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.201 0.909 . . . . 0.0 111.037 177.693 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 61.2 t60 -56.07 -51.87 66.3 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.507 0.723 . . . . 0.0 110.436 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -55.47 -43.74 75.78 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 118.811 0.732 . . . . 0.0 111.762 176.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 6.2 mp -60.67 -37.15 80.61 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.262 1.425 . . . . 0.0 112.229 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 42.8 mmt-85 . . . . . 0 N--CA 1.48 1.04 0 CA-C-N 119.486 1.039 . . . . 0.0 113.043 175.798 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 CA--C 1.541 0.61 0 CA-C-O 121.182 0.515 . . . . 0.0 112.058 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -156.38 136.56 8.69 Favored Pre-proline 0 CA--C 1.544 0.732 0 C-N-CA 126.209 1.803 . . . . 0.0 110.475 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -64.43 -20.32 66.07 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 122.414 2.076 . . . . 0.0 114.912 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -79.59 -23.12 42.94 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.146 0.884 . . . . 0.0 113.129 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -60.74 -29.36 69.33 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -177.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.69 -45.72 92.8 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.335 1.054 . . . . 0.0 111.306 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.48 -45.75 68.25 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.598 0.759 . . . . 0.0 111.103 176.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 63.3 t -59.26 -40.94 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.67 0.788 . . . . 0.0 111.954 177.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 20.2 t -49.47 -48.78 47.49 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.157 1.783 . . . . 0.0 114.537 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -64.92 -19.6 66.02 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 12.1 mt -90.03 -57.76 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.482 1.513 . . . . 0.0 109.801 175.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.8 p90 -150.24 101.11 3.17 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 127.673 2.389 . . . . 0.0 111.842 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -77.37 173.78 13.76 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 122.656 2.237 . . . . 0.0 110.75 176.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -67.76 -24.82 65.39 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.497 -1.377 . . . . 0.0 113.413 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 23.0 m -69.92 -45.54 67.31 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 -177.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 27.1 m -146.39 159.93 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 125.063 1.345 . . . . 0.0 113.316 -176.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 57.7 tpp -80.18 63.29 4.63 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.627 1.171 . . . . 0.0 110.335 174.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 41.3 tp -53.04 -25.85 13.81 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.753 1.621 . . . . 0.0 113.649 -177.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.76 -22.54 24.69 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.274 1.429 . . . . 0.0 113.802 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.6 p -70.15 -19.4 22.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.621 1.168 . . . . 0.0 112.742 177.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -131.11 -4.27 3.92 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -176.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -129.24 141.26 51.18 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.292 1.437 . . . . 0.0 111.896 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -97.12 -179.63 34.16 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.624 1.583 . . . . 0.0 114.08 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 75.6 mt -117.43 149.13 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.41 1.484 . . . . 0.0 111.22 -178.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -61.45 0.65 0.28 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 128.823 2.849 . . . . 0.0 116.803 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 35.1 tp . . . . . 0 CA--C 1.549 0.93 0 C-N-CA 126.491 1.916 . . . . 0.0 114.365 179.495 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 74.9 ttt-85 . . . . . 0 N--CA 1.477 0.895 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.9 mp -67.17 -46.49 73.81 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.79 1.236 . . . . 0.0 111.113 177.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 68.5 m -58.2 -46.55 85.62 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.827 0.74 . . . . 0.0 111.246 178.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 55.3 mt -55.67 -63.43 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 126.122 1.769 . . . . 0.0 110.545 177.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -61.3 -36.26 79.62 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -177.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -62.81 -53.4 54.82 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.061 0.944 . . . . 0.0 110.517 176.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 18.3 t -58.81 -33.81 70.8 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.227 0.611 . . . . 0.0 112.162 177.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 41.4 mt -64.45 -28.62 45.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 O-C-N 121.168 -0.957 . . . . 0.0 112.086 176.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -63.05 -46.37 87.8 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 120.353 1.433 . . . . 0.0 109.638 174.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 4.3 m -59.51 -40.8 88.26 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.944 1.698 . . . . 0.0 111.327 175.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 63.8 tp -59.28 -54.97 40.72 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.314 1.446 . . . . 0.0 110.529 176.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 94.8 t -55.03 -50.17 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 CA-C-O 118.566 -0.73 . . . . 0.0 110.429 177.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 33.9 t60 -53.32 -58.67 6.28 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.479 0.712 . . . . 0.0 111.285 177.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -56.33 -28.7 59.81 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 96.5 m -78.73 -13.0 60.05 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 177.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -119.99 -12.77 9.09 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.087 1.355 . . . . 0.0 114.29 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 11.6 t -65.04 122.36 16.85 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.628 1.571 . . . . 0.0 111.619 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -74.9 -8.97 58.04 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.329 1.852 . . . . 0.0 115.387 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 31.8 t30 -136.76 113.47 10.26 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.877 1.217 . . . . 0.0 113.131 -176.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.49 -15.41 17.54 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -93.0 8.6 39.21 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 126.44 1.896 . . . . 0.0 113.61 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 51.6 t -45.08 135.75 5.3 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 127.462 2.305 . . . . 0.0 112.686 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 84.7 p -74.24 -10.92 60.08 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -176.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 26.3 tp -72.38 120.77 82.33 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 124.575 1.15 . . . . 0.0 112.012 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.67 -39.7 75.48 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.898 2.399 . . . . 0.0 113.348 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 15.0 m -58.09 -47.6 82.7 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.272 1.429 . . . . 0.0 112.061 178.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 20.9 t -61.37 -54.17 47.17 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.161 1.784 . . . . 0.0 109.5 176.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -50.32 -55.09 17.04 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.498 1.519 . . . . 0.0 112.547 177.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 89.4 mttt -57.94 -49.46 76.69 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.915 0.886 . . . . 0.0 111.862 177.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 44.8 tpp -59.67 -38.37 81.29 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.97 0.908 . . . . 0.0 113.0 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -53.45 -31.11 43.98 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 118.035 -0.983 . . . . 0.0 113.441 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -59.21 -61.81 2.36 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.903 1.229 . . . . 0.0 111.676 177.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 26.7 m -63.83 -33.81 64.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 46.4 t -62.2 -48.65 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.957 0.903 . . . . 0.0 109.932 175.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 66.8 mm-40 -62.78 -30.05 71.17 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.686 1.194 . . . . 0.0 112.252 175.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 11.6 t60 -69.3 -66.05 0.63 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.57 0.748 . . . . 0.0 110.411 175.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 5.1 t -55.36 -33.74 63.68 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -174.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -70.54 -14.26 62.43 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 177.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -128.96 -8.65 3.68 Favored Glycine 0 CA--C 1.538 1.505 0 N-CA-C 116.499 1.36 . . . . 0.0 116.499 -178.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 40.6 t -57.57 138.71 54.95 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.516 1.526 . . . . 0.0 112.754 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -90.57 -6.73 54.32 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.025 1.73 . . . . 0.0 112.915 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -107.5 -53.9 2.56 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.64 1.576 . . . . 0.0 112.566 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 14.7 mmmm 58.14 179.92 0.06 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.719 2.008 . . . . 0.0 113.385 -178.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 19.6 p -59.63 -29.97 68.39 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 120.627 -1.295 . . . . 0.0 112.159 175.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -58.59 -39.24 79.83 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.063 1.345 . . . . 0.0 111.891 175.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -90.94 -5.24 68.38 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 125.267 1.413 . . . . 0.0 113.733 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 93.3 16.09 48.28 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 125.721 1.629 . . . . 0.0 115.756 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 14.0 t -55.5 113.84 6.28 Favored Pre-proline 0 CA--C 1.553 1.085 0 CA-C-N 119.246 1.523 . . . . 0.0 112.518 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -56.24 -44.54 45.56 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 123.235 2.623 . . . . 0.0 113.891 -178.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 58.8 t -55.56 -58.69 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.368 1.067 . . . . 0.0 111.133 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 39.4 m -53.66 -46.1 70.49 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.013 1.325 . . . . 0.0 110.557 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1821 ' ' LYS . . . . . 0.412 ' HE2' ' O ' ' A' 1821 ' ' LYS . 0.0 OUTLIER -54.61 -45.36 73.66 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.458 1.103 . . . . 0.0 111.675 177.131 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -60.4 -38.72 84.86 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.122 0.874 . . . . 0.0 111.967 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 4.4 mt -66.42 -51.45 56.84 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.862 -0.524 . . . . 0.0 110.721 174.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 23.1 mm -56.32 -37.03 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 123.71 0.804 . . . . 0.0 111.919 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -55.32 -51.63 66.12 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.414 1.006 . . . . 0.0 111.591 176.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 4.1 mp -69.51 -39.17 77.74 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.496 1.118 . . . . 0.0 111.854 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 73.4 m -59.51 -39.79 85.01 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.99 0.814 . . . . 0.0 110.603 174.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 35.1 t -65.74 -50.12 65.94 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.737 1.215 . . . . 0.0 111.123 176.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 37.1 t80 -57.38 -40.61 78.56 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.5 0.591 . . . . 0.0 111.398 176.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 54.2 t60 -61.63 -58.55 7.64 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.973 0.909 . . . . 0.0 110.097 174.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -54.42 -28.58 44.91 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.655 1.582 . . . . 0.0 114.618 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -56.97 -47.46 80.72 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.809 1.644 . . . . 0.0 110.932 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 51.5 m80 -90.11 -29.47 18.3 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.93 2.092 . . . . 0.0 114.34 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1834 ' ' CYS . . . . . 0.481 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 8.1 t -66.54 153.74 42.19 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.189 1.396 . . . . 0.0 113.632 -177.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.82 -2.97 0.8 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.565 1.946 . . . . 0.0 114.775 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -71.57 107.08 4.27 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.316 1.446 . . . . 0.0 111.302 178.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -53.68 -16.2 1.54 Allowed 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 116.811 2.152 . . . . 0.0 116.811 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 47.9 mttp -132.21 32.92 3.92 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.677 1.991 . . . . 0.0 112.857 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 32.5 t -49.56 136.34 17.96 Favored Pre-proline 0 CA--C 1.559 1.307 0 C-N-CA 126.463 1.905 . . . . 0.0 112.211 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -64.7 -24.99 61.64 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 123.366 2.711 . . . . 0.0 115.156 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 97.1 t -65.79 122.82 82.68 Favored Pre-proline 0 N--CA 1.474 0.771 0 CA-C-N 119.332 0.969 . . . . 0.0 109.099 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -64.55 -44.84 10.2 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.829 2.353 . . . . 0.0 114.397 -175.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -72.57 -31.06 64.94 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 47.5 t -43.35 -67.02 0.31 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.529 1.931 . . . . 0.0 112.215 -178.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 63.9 mt -52.99 -36.79 60.77 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.506 1.523 . . . . 0.0 113.896 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -65.44 -48.74 71.68 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.909 0.777 . . . . 0.0 110.17 175.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 11.5 mm -58.61 -46.23 90.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-O 119.163 -0.446 . . . . 0.0 110.284 176.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1848 ' ' LYS . . . . . 0.481 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 68.9 mttt -52.3 -45.56 65.59 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.442 1.019 . . . . 0.0 111.688 176.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 24.2 t60 -58.18 -49.03 78.46 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.881 0.764 . . . . 0.0 110.848 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 7.6 mptt -60.06 -27.9 67.34 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.222 1.809 . . . . 0.0 112.802 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.9 mp -85.45 -49.33 8.18 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.384 1.874 . . . . 0.0 113.434 177.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? . . . . . 0 N--CA 1.476 0.858 0 C-N-CA 123.952 0.901 . . . . 0.0 113.228 -179.093 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 CA--C 1.54 0.577 0 CA-C-O 121.316 0.579 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -158.5 138.96 9.1 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 124.641 1.176 . . . . 0.0 110.845 -178.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -73.3 -17.7 23.97 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.561 2.174 . . . . 0.0 114.779 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -79.96 -33.95 39.14 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -178.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -27.31 61.54 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -177.059 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -64.4 -43.09 95.52 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.036 1.334 . . . . 0.0 110.971 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.62 -42.48 86.73 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.772 0.829 . . . . 0.0 110.75 175.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 13.7 t -58.09 -44.3 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.313 0.645 . . . . 0.0 110.381 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.2 t -46.89 -49.52 20.19 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.616 1.966 . . . . 0.0 114.6 -178.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -72.75 -15.36 61.66 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 17.8 mt -90.28 -54.73 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.356 1.462 . . . . 0.0 109.486 175.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -154.51 101.11 2.4 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 128.756 2.822 . . . . 0.0 111.947 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -74.45 174.17 13.02 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 122.628 2.219 . . . . 0.0 112.653 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.17 -16.59 62.24 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 -175.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 48.9 m -123.12 0.84 9.12 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 115.632 1.715 . . . . 0.0 115.632 -177.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 9.3 t -140.81 130.33 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 119.734 1.152 . . . . 0.0 111.929 -178.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 52.0 tpp -78.93 51.51 1.14 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.74 1.216 . . . . 0.0 110.292 174.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 51.1 tp -52.1 -25.7 9.38 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 127.365 2.266 . . . . 0.0 113.823 -177.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.46 -18.02 16.28 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.951 1.301 . . . . 0.0 113.527 174.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.7 p -71.3 -17.78 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.491 1.116 . . . . 0.0 112.522 176.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -127.08 -29.78 2.75 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.65 1.58 . . . . 0.0 113.88 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -75.07 147.73 40.37 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.377 1.471 . . . . 0.0 111.21 177.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.65 105.94 0.62 Allowed Glycine 0 CA--C 1.53 1.03 0 C-N-CA 125.171 1.367 . . . . 0.0 112.469 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.63 123.8 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.194 1.398 . . . . 0.0 109.738 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -69.37 31.15 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 127.038 2.135 . . . . 0.0 116.136 -176.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 49.5 tp . . . . . 0 CA--C 1.555 1.14 0 C-N-CA 125.811 1.644 . . . . 0.0 114.805 179.458 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 3.2 mp -65.52 -31.28 72.26 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.199 1.0 . . . . 0.0 111.971 176.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 74.8 m -65.02 -43.99 90.63 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.089 -1.007 . . . . 0.0 111.088 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 84.7 mt -55.34 -60.37 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.321 1.449 . . . . 0.0 111.092 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -60.06 -32.43 70.93 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 13.7 mmp_? -64.76 -51.4 62.46 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.148 0.885 . . . . 0.0 110.229 175.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 68.0 m -59.92 -29.24 68.24 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.174 0.589 . . . . 0.0 112.47 176.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 51.2 mt -67.69 -27.64 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 O-C-N 120.998 -1.064 . . . . 0.0 111.57 176.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -63.97 -43.09 96.8 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.882 1.219 . . . . 0.0 109.224 173.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 3.2 m -59.86 -44.3 94.2 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.708 1.603 . . . . 0.0 111.052 175.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 67.2 tp -58.21 -55.9 28.95 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.23 1.412 . . . . 0.0 110.842 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 86.8 t -54.84 -51.93 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-O 118.485 -0.769 . . . . 0.0 110.515 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 31.5 t60 -52.61 -59.03 4.96 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.6 0.76 . . . . 0.0 110.955 177.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -56.45 -28.58 59.96 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 87.2 m -78.59 -14.93 59.09 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -117.39 -15.73 10.31 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.015 1.326 . . . . 0.0 114.26 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 11.7 t -59.54 119.86 8.32 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.502 1.921 . . . . 0.0 111.655 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -77.58 -5.67 51.04 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.97 1.708 . . . . 0.0 115.412 -176.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 33.0 t30 -136.68 110.3 8.04 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.791 1.236 . . . . 0.0 112.357 -177.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -56.65 -17.57 9.21 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -87.51 -1.13 57.73 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.694 1.598 . . . . 0.0 114.026 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 48.6 t -46.02 111.57 0.38 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.997 2.119 . . . . 0.0 111.858 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 89.1 p -70.21 1.0 5.27 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 116.743 2.127 . . . . 0.0 116.743 -174.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 17.4 tp -62.35 123.11 77.25 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 125.029 1.331 . . . . 0.0 109.995 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -47.71 -41.23 31.22 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.739 2.959 . . . . 0.0 115.374 -177.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 12.0 p -68.21 -48.76 64.32 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.001 1.321 . . . . 0.0 112.401 177.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 11.6 t -58.02 -52.06 67.1 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.662 1.585 . . . . 0.0 110.027 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -46.7 -58.38 3.92 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.959 1.703 . . . . 0.0 111.735 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 91.4 mttt -59.78 -50.21 74.69 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.658 1.183 . . . . 0.0 112.107 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 51.0 tpp -60.69 -39.98 90.49 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.276 1.03 . . . . 0.0 113.359 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -52.44 -42.05 63.81 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.489 1.116 . . . . 0.0 113.131 178.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -58.56 -42.21 87.39 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.615 0.766 . . . . 0.0 111.508 177.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 1.4 t -69.84 -42.44 79.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.235 1.014 . . . . 0.0 111.514 178.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 71.5 t -59.24 -44.15 91.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.104 0.962 . . . . 0.0 109.973 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -65.65 -28.6 69.22 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.493 1.117 . . . . 0.0 112.685 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.5 t60 -71.73 -64.1 1.0 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.088 0.955 . . . . 0.0 110.22 176.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 11.1 t -52.92 -36.22 59.35 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 -176.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -70.26 -13.56 62.22 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -133.39 -1.97 3.78 Favored Glycine 0 CA--C 1.536 1.385 0 N-CA-C 116.496 1.358 . . . . 0.0 116.496 -177.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 45.2 t -56.31 127.0 28.76 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.155 1.477 . . . . 0.0 112.779 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -74.25 -6.37 47.48 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.759 1.624 . . . . 0.0 113.191 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -119.32 -55.17 2.16 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.602 1.961 . . . . 0.0 111.933 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1812 ' ' LYS . . . . . 0.427 ' HG2' ' H ' ' A' 1813 ' ' THR . 21.5 tttm 54.91 -175.31 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 127.653 2.381 . . . . 0.0 113.553 -177.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1813 ' ' THR . . . . . 0.427 ' H ' ' HG2' ' A' 1812 ' ' LYS . 69.4 p -57.59 -34.73 69.56 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 120.565 -1.334 . . . . 0.0 112.601 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -59.09 -40.58 85.7 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.34 1.456 . . . . 0.0 112.304 177.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -88.28 -6.72 74.1 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 124.857 1.218 . . . . 0.0 114.057 177.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 98.04 14.63 38.76 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.535 1.54 . . . . 0.0 116.156 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 23.1 t -56.24 119.86 30.74 Favored Pre-proline 0 CA--C 1.553 1.064 0 CA-C-N 119.495 1.647 . . . . 0.0 111.268 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -67.0 -37.63 18.61 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.562 2.174 . . . . 0.0 113.282 -176.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 72.4 t -58.01 -58.74 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.066 1.347 . . . . 0.0 110.432 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 57.5 m -53.68 -47.26 70.62 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.748 1.219 . . . . 0.0 110.577 177.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.38 -42.43 77.88 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.457 -0.777 . . . . 0.0 112.791 177.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -65.79 -38.17 88.28 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.154 0.888 . . . . 0.0 111.5 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.66 -52.31 61.27 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.63 -0.668 . . . . 0.0 110.069 176.032 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 31.1 mm -61.39 -32.83 54.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 124.21 1.004 . . . . 0.0 112.3 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -54.67 -43.42 72.42 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 120.358 1.436 . . . . 0.0 111.925 175.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 5.8 mp -72.0 -35.88 69.59 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.264 1.026 . . . . 0.0 111.324 175.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 84.8 m -60.66 -39.87 89.95 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.954 0.797 . . . . 0.0 110.299 173.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 99.7 m -64.12 -51.63 63.02 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.532 1.133 . . . . 0.0 111.426 175.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 34.5 t80 -57.53 -41.59 81.2 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.532 0.606 . . . . 0.0 111.201 176.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 39.9 t60 -60.27 -60.64 3.49 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.077 0.951 . . . . 0.0 110.304 175.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -53.19 -34.04 55.3 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.623 1.569 . . . . 0.0 114.398 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -56.39 -47.84 78.11 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.792 1.637 . . . . 0.0 111.068 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 43.5 m80 -90.07 -20.72 22.85 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.581 1.952 . . . . 0.0 115.195 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1834 ' ' CYS . . . . . 0.429 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 8.9 t -64.77 165.03 11.14 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.953 1.301 . . . . 0.0 113.831 -177.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -147.91 -2.71 0.54 Allowed 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 -178.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -73.5 142.73 46.75 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 120.193 1.36 . . . . 0.0 112.62 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -77.08 -27.23 54.17 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 121.357 -0.84 . . . . 0.0 111.917 177.196 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 59.2 mtmt -136.52 50.22 2.05 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.579 1.952 . . . . 0.0 112.283 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 8.7 t -52.3 137.92 38.84 Favored Pre-proline 0 CA--C 1.556 1.176 0 C-N-CA 126.238 1.815 . . . . 0.0 111.97 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -64.87 -24.27 61.24 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 122.971 2.447 . . . . 0.0 114.33 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 92.3 t -67.48 121.51 79.27 Favored Pre-proline 0 N--CA 1.475 0.786 0 C-N-CA 124.385 1.074 . . . . 0.0 108.61 176.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -64.36 -40.12 26.36 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.809 2.339 . . . . 0.0 114.736 -174.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -77.73 -29.05 50.99 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 -178.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 50.2 t -42.6 -67.68 0.25 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.62 1.968 . . . . 0.0 112.852 -177.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 64.6 mt -52.7 -38.02 59.97 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.652 1.581 . . . . 0.0 113.738 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 51.4 t30 -64.88 -48.89 72.6 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.691 -0.631 . . . . 0.0 110.008 175.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 11.1 mm -57.06 -45.95 84.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-O 118.7 -0.667 . . . . 0.0 110.73 177.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1848 ' ' LYS . . . . . 0.429 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 69.0 mttt -52.16 -46.09 65.33 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 119.833 1.197 . . . . 0.0 111.734 176.468 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 44.7 t60 -61.84 -48.51 80.24 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.383 0.673 . . . . 0.0 110.948 177.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 12.3 mptt -57.0 -34.25 67.96 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.71 1.604 . . . . 0.0 112.246 176.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.2 mp -74.08 -46.43 43.06 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.479 1.911 . . . . 0.0 111.952 175.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -179.615 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 CA--C 1.545 0.772 0 CA-C-O 120.603 0.24 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -147.89 112.72 3.91 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 124.594 1.158 . . . . 0.0 110.377 176.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -48.98 -31.77 21.35 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 124.385 3.39 . . . . 0.0 117.004 -177.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -69.36 -19.83 63.84 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.52 -24.89 64.04 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -177.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.78 -42.62 97.73 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.376 1.07 . . . . 0.0 110.642 177.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.96 -47.67 35.82 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.414 1.086 . . . . 0.0 110.125 175.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 57.5 t -53.56 -38.88 35.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 O-C-N 121.297 -0.877 . . . . 0.0 111.436 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 70.9 m -56.36 -29.64 61.65 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -77.32 -22.5 51.8 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 120.428 1.467 . . . . 0.0 112.379 176.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 4.6 mt -90.16 -55.46 6.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 125.817 1.647 . . . . 0.0 110.994 177.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -143.85 88.43 7.68 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 127.561 2.344 . . . . 0.0 111.07 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -71.46 172.27 14.57 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 122.305 2.004 . . . . 0.0 111.801 177.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -64.46 -22.06 66.85 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 121.135 -0.978 . . . . 0.0 113.601 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 27.6 p -78.53 -51.95 9.21 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.153 1.781 . . . . 0.0 115.071 -178.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 35.0 m -142.81 165.69 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -173.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 41.6 ttm -83.71 60.39 5.71 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.648 1.579 . . . . 0.0 109.906 173.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 44.2 tp -48.5 -30.26 5.01 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.347 2.259 . . . . 0.0 115.591 -174.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.2 -16.91 15.5 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 177.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.7 p -70.92 -17.27 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 O-C-N 121.022 -1.048 . . . . 0.0 112.148 175.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -129.68 0.79 4.93 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.551 1.941 . . . . 0.0 114.607 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -135.9 149.95 49.16 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.234 1.814 . . . . 0.0 111.384 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.15 159.45 15.71 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.505 1.05 . . . . 0.0 114.58 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 70.5 mt -98.62 134.45 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 125.956 1.702 . . . . 0.0 110.316 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -79.08 59.86 2.82 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.847 1.659 . . . . 0.0 111.523 175.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 64.9 tp . . . . . 0 N--CA 1.482 1.144 0 O-C-N 120.92 -1.112 . . . . 0.0 110.236 172.763 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 75.2 ttt-85 . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.6 mp -66.41 -43.57 85.4 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.604 1.162 . . . . 0.0 110.86 176.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 67.7 m -58.02 -46.45 85.27 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.451 -0.781 . . . . 0.0 111.264 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 30.3 mt -56.67 -61.11 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 125.014 1.326 . . . . 0.0 110.766 176.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -61.52 -37.25 83.04 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -177.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 15.6 mmp_? -62.37 -49.63 74.78 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.312 0.96 . . . . 0.0 110.282 175.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 14.4 t -58.52 -36.76 74.32 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 122.015 -0.428 . . . . 0.0 111.372 175.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 53.4 mt -66.11 -30.31 49.54 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 C-N-CA 124.071 0.948 . . . . 0.0 112.532 176.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -63.36 -44.79 93.8 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 120.618 1.554 . . . . 0.0 109.599 174.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 17.1 m -59.9 -41.71 92.27 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.068 1.347 . . . . 0.0 111.065 175.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 56.9 tp -58.18 -55.1 39.38 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.482 1.513 . . . . 0.0 110.512 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 92.7 t -55.51 -52.54 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.636 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 31.0 t60 -51.81 -58.8 5.38 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 118.984 0.811 . . . . 0.0 111.204 177.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -58.42 -28.23 65.05 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 85.5 m -78.92 -14.05 59.44 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 177.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -120.04 -4.83 10.06 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.881 1.437 . . . . 0.0 114.881 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 7.3 t -62.89 112.85 2.74 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.703 1.201 . . . . 0.0 113.028 -176.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 47.2 ptt85 -71.86 -5.87 37.61 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 127.115 2.166 . . . . 0.0 115.239 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 32.7 t30 -127.77 107.54 9.97 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.545 1.538 . . . . 0.0 111.744 -178.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.49 -15.12 15.66 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 178.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 11.7 m120 -97.8 6.34 47.97 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.523 1.529 . . . . 0.0 113.72 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 46.9 t -52.62 115.12 1.63 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.889 1.676 . . . . 0.0 110.552 177.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 46.3 m -94.98 18.62 11.66 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.695 1.198 . . . . 0.0 114.154 -175.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 22.0 tp -67.29 125.78 91.56 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.387 1.475 . . . . 0.0 108.902 176.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -47.87 -43.97 28.24 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.37 2.713 . . . . 0.0 115.412 -177.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 5.2 p -63.17 -51.42 66.46 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.26 1.024 . . . . 0.0 111.921 177.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 13.3 t -55.57 -54.37 44.9 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.067 1.747 . . . . 0.0 110.106 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -50.71 -58.83 4.94 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.527 1.931 . . . . 0.0 112.319 176.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 92.7 mttt -59.02 -44.14 91.68 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.68 1.192 . . . . 0.0 112.022 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 48.4 tpp -64.67 -39.22 93.3 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.041 0.936 . . . . 0.0 112.97 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 12.8 mptt -51.99 -36.5 49.93 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.2 -0.938 . . . . 0.0 113.119 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 12.3 mpt_? -55.53 -56.6 18.41 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.194 0.998 . . . . 0.0 112.243 178.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 23.2 m -68.04 -32.49 56.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 47.2 t -61.41 -48.86 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.454 0.702 . . . . 0.0 109.78 175.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -63.73 -27.91 69.53 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.351 1.06 . . . . 0.0 112.321 176.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 13.5 t60 -71.12 -65.22 0.77 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.938 0.895 . . . . 0.0 110.684 176.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 10.0 t -54.43 -34.55 61.61 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -175.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -70.74 -12.56 61.63 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 177.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -130.92 -6.81 3.49 Favored Glycine 0 CA--C 1.538 1.512 0 N-CA-C 116.594 1.397 . . . . 0.0 116.594 -178.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 54.0 t -58.1 139.37 54.86 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.255 1.527 . . . . 0.0 112.492 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 60.3 tttm -88.45 -12.3 43.47 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.391 1.876 . . . . 0.0 112.807 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -105.61 -55.84 2.27 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.97 1.708 . . . . 0.0 112.307 -178.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 45.0 mtpt 54.16 -175.65 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.399 2.28 . . . . 0.0 113.837 -177.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 69.0 p -58.78 -30.88 67.9 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 120.669 -1.269 . . . . 0.0 112.841 179.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -59.02 -39.55 82.24 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.234 1.414 . . . . 0.0 112.007 176.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -91.65 -4.41 67.75 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 125.107 1.337 . . . . 0.0 113.817 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 93.14 16.2 48.37 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 125.497 1.522 . . . . 0.0 115.957 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 17.0 t -54.7 114.06 6.28 Favored Pre-proline 0 CA--C 1.554 1.125 0 CA-C-N 119.226 1.513 . . . . 0.0 112.303 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -56.14 -42.34 67.41 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 123.546 2.831 . . . . 0.0 113.828 -179.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 38.5 t -58.3 -59.53 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.07 1.348 . . . . 0.0 110.278 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 49.6 m -55.23 -47.49 75.27 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.076 1.35 . . . . 0.0 111.018 177.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -55.05 -44.55 74.8 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.302 -0.874 . . . . 0.0 112.94 178.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -64.4 -35.17 80.03 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.661 0.664 . . . . 0.0 112.254 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 4.6 mt -65.9 -50.8 63.17 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.536 0.607 . . . . 0.0 109.901 173.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 24.1 mm -59.35 -36.81 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 118.814 -0.612 . . . . 0.0 111.799 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -57.75 -49.33 76.94 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 119.761 1.164 . . . . 0.0 111.348 176.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.37 -42.31 88.16 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.581 1.152 . . . . 0.0 111.297 176.403 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 81.4 m -59.66 -40.08 86.53 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.926 0.785 . . . . 0.0 111.043 174.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 49.7 t -64.72 -51.56 61.77 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.138 1.375 . . . . 0.0 110.786 176.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 35.5 t80 -56.71 -41.49 77.53 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.627 0.649 . . . . 0.0 111.397 176.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 56.1 t60 -60.48 -59.28 5.65 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.616 0.766 . . . . 0.0 110.124 174.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -55.22 -28.93 56.59 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.663 1.585 . . . . 0.0 114.676 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -56.59 -46.38 80.85 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.702 1.601 . . . . 0.0 110.686 176.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 49.4 m80 -89.93 -30.17 18.02 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.987 2.115 . . . . 0.0 114.201 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 14.1 t -66.86 165.0 16.16 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.189 1.395 . . . . 0.0 113.303 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -155.87 -2.95 0.13 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.888 2.075 . . . . 0.0 114.768 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -69.23 114.94 7.95 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.827 -1.17 . . . . 0.0 110.968 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -15.76 35.66 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 -177.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -129.63 26.79 5.3 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.486 1.914 . . . . 0.0 113.463 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 10.5 t -47.85 133.97 11.28 Favored Pre-proline 0 CA--C 1.558 1.255 0 C-N-CA 126.422 1.889 . . . . 0.0 112.346 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.34 -24.85 64.38 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.64 2.893 . . . . 0.0 115.484 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 84.3 t -65.46 116.13 28.33 Favored Pre-proline 0 N--CA 1.477 0.875 0 C-N-CA 124.742 1.217 . . . . 0.0 109.994 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -48.54 -52.27 8.79 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 124.241 3.294 . . . . 0.0 116.016 -176.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -78.03 -23.76 48.1 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 114.657 1.355 . . . . 0.0 114.657 -177.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 44.0 t -46.19 -64.74 0.68 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.268 1.427 . . . . 0.0 112.005 -178.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 56.6 mt -53.49 -39.08 64.28 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.882 1.273 . . . . 0.0 114.019 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -62.37 -49.73 74.39 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.434 0.561 . . . . 0.0 109.834 176.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 7.4 mm -59.25 -48.59 86.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-O 119.025 -0.512 . . . . 0.0 110.234 176.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -52.94 -43.93 66.69 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 119.634 1.106 . . . . 0.0 112.082 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 64.0 t60 -62.11 -53.19 58.94 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.282 0.633 . . . . 0.0 110.573 176.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 8.7 mptt -51.05 -43.61 60.97 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.236 1.414 . . . . 0.0 111.212 176.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 3.7 mp -58.4 -30.69 67.04 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.141 1.776 . . . . 0.0 114.671 177.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? . . . . . 0 N--CA 1.479 1.021 0 CA-C-N 119.311 0.96 . . . . 0.0 111.829 176.242 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 CA--C 1.543 0.684 0 CA-C-O 121.05 0.452 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -147.28 118.89 4.63 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 125.793 1.637 . . . . 0.0 109.265 175.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -48.19 -30.62 15.04 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 124.181 3.254 . . . . 0.0 116.642 -177.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -77.38 -17.89 57.8 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -57.95 -33.42 68.83 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -174.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.74 -44.7 89.28 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.313 1.045 . . . . 0.0 111.223 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.87 -26.16 64.99 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.253 1.021 . . . . 0.0 113.331 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 65.3 t -79.41 -48.97 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.542 1.137 . . . . 0.0 110.109 176.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 48.9 m -49.31 -42.38 41.26 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.048 1.739 . . . . 0.0 114.815 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 -64.74 -26.3 68.3 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 8.4 mt -90.01 -55.95 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 126.475 1.91 . . . . 0.0 109.425 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -153.45 102.33 2.57 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 127.545 2.338 . . . . 0.0 113.343 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -78.43 175.27 11.27 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 123.284 2.656 . . . . 0.0 111.347 176.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -77.99 -16.85 57.78 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 120.92 -1.112 . . . . 0.0 113.567 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 23.9 p -77.58 -50.22 13.01 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.23 1.812 . . . . 0.0 114.187 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 35.9 m -139.79 159.02 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.818 1.647 . . . . 0.0 112.921 -177.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 89.7 mmm -80.23 56.57 2.5 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.767 1.227 . . . . 0.0 111.414 176.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 tt -49.67 -31.42 10.97 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.4 1.88 . . . . 0.0 113.003 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.06 -29.22 28.85 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 175.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 1.8 p -62.92 -17.91 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 119.619 1.1 . . . . 0.0 113.814 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -127.06 14.95 7.35 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.867 2.067 . . . . 0.0 113.079 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -131.06 174.99 9.46 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.577 1.951 . . . . 0.0 111.81 -177.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.24 165.75 32.91 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.001 1.286 . . . . 0.0 113.306 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 62.9 mt -122.47 118.05 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 126.076 1.751 . . . . 0.0 108.919 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -74.9 65.57 1.42 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.001 1.32 . . . . 0.0 113.26 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 51.4 tp . . . . . 0 CA--C 1.551 1.001 0 O-C-N 120.517 -1.364 . . . . 0.0 112.615 176.5 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 37.3 mt -66.79 -41.99 86.73 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.24 1.416 . . . . 0.0 111.068 176.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 48.6 p -62.5 -39.62 94.08 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.214 0.915 . . . . 0.0 111.644 178.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 79.3 mt -58.8 -63.99 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 125.482 1.513 . . . . 0.0 110.112 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -60.16 -33.59 72.4 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -178.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -66.36 -51.46 56.95 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.757 0.823 . . . . 0.0 110.743 175.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 23.0 t -58.01 -34.75 70.35 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 118.524 0.602 . . . . 0.0 111.501 176.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 50.8 mt -62.05 -28.07 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 O-C-N 121.005 -1.059 . . . . 0.0 112.452 176.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -63.32 -46.07 88.34 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.379 1.445 . . . . 0.0 109.559 174.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 9.0 m -59.7 -40.75 88.97 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.773 1.629 . . . . 0.0 111.184 175.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.19 -54.62 44.89 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.337 1.455 . . . . 0.0 110.648 176.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 91.8 t -55.61 -50.46 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-O 118.428 -0.796 . . . . 0.0 110.45 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 27.2 t60 -52.57 -58.22 7.48 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.789 0.722 . . . . 0.0 111.012 177.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -56.55 -29.5 62.03 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 91.3 m -78.3 -14.15 59.54 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -120.04 -12.96 9.04 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 8.7 t -58.87 124.22 19.11 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.78 1.632 . . . . 0.0 112.175 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -78.73 -14.09 59.47 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.785 2.034 . . . . 0.0 115.407 -175.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 29.1 t30 -131.37 113.01 13.24 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.868 1.267 . . . . 0.0 112.702 -176.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -58.97 -15.89 15.26 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -92.11 6.93 44.69 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.144 1.777 . . . . 0.0 113.691 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 44.4 t -44.74 130.43 7.06 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 127.204 2.202 . . . . 0.0 113.0 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 20.2 m -75.43 -9.35 58.49 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 -176.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 16.9 tp -71.7 122.38 87.07 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 124.506 1.123 . . . . 0.0 112.373 -177.012 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.92 -41.79 61.54 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 123.147 2.564 . . . . 0.0 113.321 177.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 70.4 m -57.2 -49.06 77.17 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.328 1.451 . . . . 0.0 112.135 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 25.2 t -60.98 -56.3 22.73 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.924 1.69 . . . . 0.0 109.909 177.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -51.14 -52.06 47.55 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.566 1.546 . . . . 0.0 113.129 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -64.26 -45.43 88.12 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.29 1.036 . . . . 0.0 111.736 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 46.8 tpp -60.29 -39.5 87.15 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.962 0.905 . . . . 0.0 112.317 176.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -52.51 -34.77 51.18 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.108 0.963 . . . . 0.0 113.475 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -58.65 -58.51 8.24 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-N 119.9 1.227 . . . . 0.0 111.942 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 27.0 m -65.97 -33.9 66.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 118.306 0.503 . . . . 0.0 112.333 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 43.7 t -62.71 -47.22 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.841 0.856 . . . . 0.0 110.199 175.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -63.0 -30.02 71.27 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.439 1.096 . . . . 0.0 112.098 175.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 9.6 t60 -67.27 -65.28 0.7 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.495 0.718 . . . . 0.0 109.988 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 9.3 t -55.57 -34.75 65.05 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -175.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -72.81 -16.23 61.62 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -116.13 -9.13 12.29 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 125.702 1.62 . . . . 0.0 115.704 -178.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 9.5 t -64.81 168.98 5.56 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.728 1.611 . . . . 0.0 112.604 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -122.91 3.0 9.43 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.461 2.304 . . . . 0.0 112.812 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -130.02 179.85 5.63 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 128.836 2.854 . . . . 0.0 109.405 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1812 ' ' LYS . . . . . 0.429 ' HG3' ' H ' ' A' 1813 ' ' THR . 10.2 tptm -162.45 -172.25 3.09 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 126.189 1.796 . . . . 0.0 110.762 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1813 ' ' THR . . . . . 0.429 ' H ' ' HG3' ' A' 1812 ' ' LYS . 22.8 p -51.32 -47.48 62.65 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.589 1.956 . . . . 0.0 112.336 176.308 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 40.7 t30 -61.66 -32.27 72.43 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.208 1.403 . . . . 0.0 112.875 178.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -86.66 -23.22 43.51 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 124.734 1.159 . . . . 0.0 113.377 177.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 107.23 10.56 27.48 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 126.236 1.874 . . . . 0.0 116.946 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 9.6 t -61.24 111.03 3.59 Favored Pre-proline 0 CA--C 1.551 0.995 0 CA-C-N 120.31 2.055 . . . . 0.0 111.647 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -59.7 -47.67 15.36 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.84 2.36 . . . . 0.0 113.911 -177.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 42.8 t -56.64 -56.45 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 CA-C-N 119.162 0.892 . . . . 0.0 111.364 -178.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 62.1 m -54.63 -45.66 73.79 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.484 1.114 . . . . 0.0 110.442 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -55.8 -42.61 75.87 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.122 0.969 . . . . 0.0 112.642 177.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -61.31 -43.91 98.09 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.202 0.91 . . . . 0.0 111.166 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 6.3 mt -63.95 -53.92 42.68 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.982 0.513 . . . . 0.0 111.601 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 37.3 mm -56.4 -36.17 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.794 0.838 . . . . 0.0 112.431 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -58.34 -48.07 81.75 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.728 1.149 . . . . 0.0 111.678 175.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.85 -42.32 81.53 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.738 1.215 . . . . 0.0 111.283 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 97.6 m -58.55 -40.09 82.04 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.296 0.953 . . . . 0.0 110.909 174.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 49.3 t -64.16 -51.96 61.34 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.196 0.998 . . . . 0.0 111.116 176.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 32.7 t80 -56.16 -42.89 77.72 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.465 0.706 . . . . 0.0 111.309 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 44.4 t60 -58.97 -59.46 5.43 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.126 0.97 . . . . 0.0 110.147 175.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -54.12 -32.62 55.57 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.379 1.472 . . . . 0.0 114.644 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -56.28 -46.5 79.71 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.907 1.683 . . . . 0.0 111.114 177.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 47.6 m80 -90.24 -26.04 20.27 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.55 1.94 . . . . 0.0 114.634 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1834 ' ' CYS . . . . . 0.431 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 9.1 t -64.42 151.26 44.61 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.723 1.209 . . . . 0.0 113.602 -177.438 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -138.07 -1.36 1.97 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.409 1.884 . . . . 0.0 114.145 -178.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -73.74 134.31 43.46 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 120.646 -1.284 . . . . 0.0 112.133 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 31.0 t30 -71.41 -24.76 62.11 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -178.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -135.2 45.76 2.47 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 126.804 2.042 . . . . 0.0 112.03 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 25.8 t -53.66 136.89 53.63 Favored Pre-proline 0 CA--C 1.559 1.297 0 C-N-CA 125.703 1.601 . . . . 0.0 112.659 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -65.48 -25.03 55.97 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 123.474 2.782 . . . . 0.0 114.796 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 82.3 t -65.24 125.66 89.82 Favored Pre-proline 0 N--CA 1.476 0.864 0 CA-C-N 119.357 0.981 . . . . 0.0 109.211 178.159 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -62.8 -48.28 7.22 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.116 2.544 . . . . 0.0 115.104 -174.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -76.77 -24.44 52.9 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -177.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 53.0 t -41.99 -67.73 0.24 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.501 1.92 . . . . 0.0 113.145 -177.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 1.1 mp -52.35 -40.66 62.25 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.227 1.411 . . . . 0.0 113.846 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -62.19 -48.38 80.29 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.847 0.459 . . . . 0.0 110.265 176.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 10.7 mm -57.96 -47.22 87.09 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 118.531 -0.747 . . . . 0.0 110.516 176.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1848 ' ' LYS . . . . . 0.431 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 65.6 mttt -52.59 -46.5 66.96 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 120.004 1.275 . . . . 0.0 111.614 177.017 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 55.9 t60 -60.77 -45.7 93.35 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.969 0.907 . . . . 0.0 111.604 177.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -60.11 -46.36 89.88 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.395 1.478 . . . . 0.0 111.211 175.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.5 mp -58.28 -38.15 76.42 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.902 1.681 . . . . 0.0 112.191 176.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 . . . . . 0 N--CA 1.476 0.867 0 C-N-CA 124.278 1.031 . . . . 0.0 113.739 177.803 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 CA--C 1.54 0.576 0 CA-C-O 121.202 0.525 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -152.31 120.7 3.26 Favored Pre-proline 0 CA--C 1.545 0.766 0 C-N-CA 124.42 1.088 . . . . 0.0 110.307 -177.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -51.04 -29.85 29.22 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.505 2.804 . . . . 0.0 115.843 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -71.96 -21.31 61.61 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.097 0.959 . . . . 0.0 113.042 178.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -60.7 -29.51 69.37 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 120.039 1.29 . . . . 0.0 113.723 -176.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -64.41 -35.82 82.15 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.408 1.083 . . . . 0.0 111.246 176.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.58 -31.78 63.79 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.123 0.969 . . . . 0.0 111.629 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 28.8 t -71.29 -46.44 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-N 118.608 0.64 . . . . 0.0 109.608 175.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 8.6 t -47.18 -51.91 17.09 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.437 2.295 . . . . 0.0 114.536 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -64.48 -21.15 66.58 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 13.1 mt -90.24 -53.92 8.37 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 C-N-CA 125.645 1.578 . . . . 0.0 109.981 176.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -153.03 102.83 2.64 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 128.06 2.544 . . . . 0.0 111.099 177.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -77.21 175.14 11.71 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 122.83 2.354 . . . . 0.0 112.33 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -65.35 -26.36 67.99 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.06 -1.025 . . . . 0.0 112.971 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 19.0 m -69.81 -47.32 63.25 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.608 1.563 . . . . 0.0 114.812 -178.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 29.8 m -146.14 158.41 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 125.181 1.392 . . . . 0.0 113.297 -176.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 51.0 ttm -79.47 64.92 4.49 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.599 1.159 . . . . 0.0 110.191 174.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 17.9 tp -55.28 -21.58 15.18 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.142 1.377 . . . . 0.0 113.088 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.28 -22.14 17.38 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.199 1.4 . . . . 0.0 113.415 174.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.3 p -72.6 -13.99 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.05 0.94 . . . . 0.0 112.944 176.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -128.19 -22.83 3.37 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.412 1.485 . . . . 0.0 114.193 178.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -72.29 161.34 30.98 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.047 1.339 . . . . 0.0 111.678 176.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.59 96.29 0.17 Allowed Glycine 0 CA--C 1.531 1.07 0 C-N-CA 125.01 1.29 . . . . 0.0 112.839 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 67.8 mt -63.55 103.73 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.658 1.583 . . . . 0.0 109.469 178.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -77.58 59.3 1.93 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.178 1.391 . . . . 0.0 112.607 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 tt . . . . . 0 N--CA 1.475 0.792 0 C-N-CA 126.17 1.788 . . . . 0.0 113.425 -178.933 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 30.7 ttm-85 . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 8.5 mp -70.06 -43.45 71.17 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.03 1.332 . . . . 0.0 111.476 177.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 57.7 m -62.75 -41.55 99.25 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.36 -0.837 . . . . 0.0 111.569 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 40.4 mt -55.39 -62.37 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 125.512 1.525 . . . . 0.0 109.911 176.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -60.17 -44.85 94.72 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -57.9 -47.04 83.99 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.074 0.852 . . . . 0.0 111.478 176.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 26.6 t -61.65 -38.48 87.86 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 122.825 0.45 . . . . 0.0 111.04 175.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 51.5 mt -63.72 -37.53 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.363 1.065 . . . . 0.0 112.249 177.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -58.28 -44.12 88.33 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 120.455 1.48 . . . . 0.0 110.095 174.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 25.1 m -65.14 -36.47 84.37 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.916 0.886 . . . . 0.0 112.138 175.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.02 -52.85 63.63 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.056 1.742 . . . . 0.0 109.512 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 90.4 t -56.71 -50.71 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.877 0.871 . . . . 0.0 110.226 176.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 34.0 t60 -52.1 -58.0 7.88 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.735 0.814 . . . . 0.0 111.03 177.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -55.73 -30.38 61.11 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 89.0 m -74.22 -15.09 61.01 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 177.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -119.84 -15.13 8.9 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.181 1.392 . . . . 0.0 114.134 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 15.5 t -60.83 119.1 7.55 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.39 1.876 . . . . 0.0 111.678 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -74.06 -8.5 56.35 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 126.429 1.892 . . . . 0.0 115.683 -175.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 25.8 t30 -140.35 115.02 9.49 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.472 1.109 . . . . 0.0 112.722 -176.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.75 -15.46 20.28 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 177.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -93.53 11.28 29.18 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 126.564 1.946 . . . . 0.0 113.538 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 52.9 t -44.88 138.15 3.7 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 127.564 2.346 . . . . 0.0 112.969 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 78.9 p -73.48 -5.36 39.58 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 -176.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 27.0 tp -77.8 119.15 76.28 Favored Pre-proline 0 CA--C 1.549 0.937 0 CA-C-N 120.312 1.414 . . . . 0.0 110.829 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.11 -42.15 39.68 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 123.356 2.704 . . . . 0.0 114.899 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 91.1 p -70.8 -37.15 73.26 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 49.7 t -59.38 -50.14 75.1 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.433 1.493 . . . . 0.0 109.776 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -49.19 -50.09 39.64 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.546 1.538 . . . . 0.0 111.977 176.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -66.08 -50.73 63.08 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.51 1.124 . . . . 0.0 111.821 177.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 57.4 tpp -54.37 -40.99 68.65 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.011 1.324 . . . . 0.0 113.077 178.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -51.97 -37.33 52.6 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.049 0.939 . . . . 0.0 113.223 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -60.73 -57.64 11.84 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.557 1.071 . . . . 0.0 111.848 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 17.8 m -62.4 -36.94 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 118.523 0.601 . . . . 0.0 112.196 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 44.9 t -61.24 -50.94 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.007 0.923 . . . . 0.0 110.332 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -63.01 -29.54 70.9 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.188 0.995 . . . . 0.0 112.405 176.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.4 t60 -68.54 -66.95 0.51 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.157 0.983 . . . . 0.0 110.0 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 2.8 t -56.7 -33.22 66.25 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 -174.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -69.35 -14.08 62.72 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -133.28 0.36 4.31 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 124.953 1.263 . . . . 0.0 116.154 -178.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 49.6 t -56.01 129.98 42.03 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.026 1.413 . . . . 0.0 112.732 -178.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -72.86 -7.18 49.63 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.598 1.559 . . . . 0.0 113.032 178.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -119.95 -55.54 2.07 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.731 2.013 . . . . 0.0 111.769 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1812 ' ' LYS . . . . . 0.46 ' HG2' ' H ' ' A' 1813 ' ' THR . 22.5 tttm 54.4 -175.69 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 127.596 2.358 . . . . 0.0 113.536 -177.419 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1813 ' ' THR . . . . . 0.46 ' H ' ' HG2' ' A' 1812 ' ' LYS . 81.2 p -57.67 -32.94 67.82 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 120.34 -1.475 . . . . 0.0 112.601 178.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 38.1 t30 -58.5 -40.0 81.6 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.408 1.483 . . . . 0.0 112.267 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -91.28 -5.44 67.46 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 125.065 1.317 . . . . 0.0 113.866 177.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 97.02 14.8 41.23 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.622 1.582 . . . . 0.0 116.122 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 25.3 t -56.76 119.25 28.28 Favored Pre-proline 0 CA--C 1.552 1.023 0 CA-C-N 119.432 1.616 . . . . 0.0 111.761 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -65.06 -38.21 29.34 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.941 2.427 . . . . 0.0 113.739 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 64.5 t -58.46 -57.69 9.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.248 1.019 . . . . 0.0 110.34 178.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 56.6 m -53.78 -45.58 70.73 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.372 1.469 . . . . 0.0 110.642 177.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -40.81 74.18 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 118.208 -0.901 . . . . 0.0 112.233 177.24 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -62.94 -44.91 94.79 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.666 1.121 . . . . 0.0 111.426 177.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.79 -50.1 68.11 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 122.933 0.493 . . . . 0.0 111.755 178.438 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 39.7 mm -64.19 -31.52 53.7 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 124.158 0.983 . . . . 0.0 112.034 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -58.88 -49.24 78.51 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 120.371 1.441 . . . . 0.0 110.584 174.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.81 -42.6 97.65 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.525 1.13 . . . . 0.0 110.827 175.285 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 11.0 t -59.79 -35.78 75.36 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 118.649 0.659 . . . . 0.0 111.676 174.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 37.1 t -67.92 -49.1 63.84 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.32 1.048 . . . . 0.0 110.645 176.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 24.7 t80 -57.5 -37.54 73.15 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.242 0.617 . . . . 0.0 111.199 175.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 41.7 t60 -64.29 -63.17 1.21 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.526 1.13 . . . . 0.0 109.955 173.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -50.74 -37.03 39.44 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.409 1.883 . . . . 0.0 114.588 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -55.51 -46.78 76.93 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 126.364 1.865 . . . . 0.0 111.494 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 32.7 m80 -90.02 -24.71 21.14 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.321 1.448 . . . . 0.0 114.232 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1834 ' ' CYS . . . . . 0.45 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 14.4 t -64.31 151.27 44.29 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.74 1.616 . . . . 0.0 112.994 -178.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -136.49 -3.77 2.11 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.075 1.75 . . . . 0.0 114.311 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -76.12 115.45 15.85 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.715 -1.241 . . . . 0.0 111.687 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 36.9 t30 -61.39 -17.55 54.62 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -131.72 35.78 3.77 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.88 2.072 . . . . 0.0 113.038 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 18.0 t -50.54 135.45 25.34 Favored Pre-proline 0 CA--C 1.559 1.321 0 C-N-CA 126.206 1.803 . . . . 0.0 112.432 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -66.16 -19.43 56.82 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 123.67 2.913 . . . . 0.0 115.627 -177.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 74.8 t -68.56 117.51 51.04 Favored Pre-proline 0 N--CA 1.475 0.818 0 C-N-CA 124.394 1.078 . . . . 0.0 109.709 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -48.74 -51.32 10.61 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 124.297 3.331 . . . . 0.0 116.378 -176.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -81.36 -23.1 37.93 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -176.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 48.6 t -42.58 -65.21 0.5 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.331 1.853 . . . . 0.0 112.815 -177.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 58.6 mt -54.33 -37.09 64.47 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.343 1.457 . . . . 0.0 113.573 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 55.1 t30 -65.91 -46.77 77.04 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 118.627 0.649 . . . . 0.0 110.207 175.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 11.4 mm -58.06 -47.48 86.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-O 118.704 -0.665 . . . . 0.0 110.401 176.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1848 ' ' LYS . . . . . 0.45 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 69.7 mttt -52.29 -46.23 65.84 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 119.724 1.147 . . . . 0.0 111.549 176.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 50.5 t60 -60.37 -51.41 69.61 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.559 0.744 . . . . 0.0 110.746 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 11.1 mptt -54.24 -42.4 69.84 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.203 1.401 . . . . 0.0 111.66 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.7 mp -62.57 -46.18 89.51 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.915 1.686 . . . . 0.0 112.07 176.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 . . . . . 0 N--CA 1.477 0.923 0 C-N-CA 123.864 0.866 . . . . 0.0 113.203 177.451 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 CA--C 1.54 0.573 0 CA-C-O 120.992 0.425 . . . . 0.0 111.967 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -155.48 152.23 24.1 Favored Pre-proline 0 CA--C 1.542 0.641 0 C-N-CA 126.16 1.784 . . . . 0.0 110.366 177.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -71.74 -7.57 21.41 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.378 2.052 . . . . 0.0 114.906 -176.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -95.36 -11.64 27.41 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.56 -34.79 74.68 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.139 -0.975 . . . . 0.0 112.957 -176.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -72.03 -33.26 67.88 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.586 1.154 . . . . 0.0 111.672 176.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.71 -43.6 68.64 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.368 1.067 . . . . 0.0 111.432 177.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 33.1 m -73.01 -37.53 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 119.142 0.883 . . . . 0.0 111.906 176.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 73.7 m -57.85 -42.32 84.23 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -177.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -68.89 -23.59 64.22 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 15.9 mt -90.19 -52.44 10.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 C-N-CA 126.325 1.85 . . . . 0.0 111.223 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -150.36 91.05 4.23 Favored Pre-proline 0 CA--C 1.559 1.306 0 C-N-CA 129.332 3.053 . . . . 0.0 112.323 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -74.89 173.99 13.51 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 123.086 2.524 . . . . 0.0 113.103 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -70.52 -22.29 62.64 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.3 -0.875 . . . . 0.0 112.931 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 24.9 p -73.8 -54.16 8.64 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.326 1.85 . . . . 0.0 113.694 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 20.2 m -140.63 160.46 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.624 1.57 . . . . 0.0 112.951 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 96.7 mmm -81.93 67.13 7.8 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.345 1.058 . . . . 0.0 110.89 175.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.42 -28.0 18.14 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.52 -19.58 3.91 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.5 p -75.96 -15.99 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 119.233 0.924 . . . . 0.0 113.094 176.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -130.1 -26.55 2.36 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.99 1.716 . . . . 0.0 114.643 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -80.99 160.92 24.47 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.056 2.142 . . . . 0.0 111.999 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -133.48 159.98 23.83 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.99 1.281 . . . . 0.0 113.586 178.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 82.1 mt -119.85 116.1 49.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 126.399 1.879 . . . . 0.0 109.074 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -77.81 64.58 3.09 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.564 1.146 . . . . 0.0 112.752 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 tt . . . . . 0 N--CA 1.474 0.752 0 C-N-CA 125.589 1.556 . . . . 0.0 112.559 177.233 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 . . . . . 0 N--CA 1.478 0.942 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 50.2 mt -65.77 -38.39 88.91 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.606 1.163 . . . . 0.0 111.376 176.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 55.0 m -64.46 -44.43 91.12 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.496 -0.752 . . . . 0.0 111.175 178.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 64.4 mt -54.69 -60.62 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 124.405 1.082 . . . . 0.0 110.782 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -60.92 -32.59 72.08 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -65.0 -52.03 58.38 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.888 0.875 . . . . 0.0 110.655 175.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 32.2 t -59.13 -35.39 73.37 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.038 0.835 . . . . 0.0 111.596 176.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 51.2 mt -60.87 -25.11 34.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 C-N-CA 124.35 1.06 . . . . 0.0 112.331 175.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -64.8 -42.76 94.76 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 120.135 -1.603 . . . . 0.0 109.666 172.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 8.1 t -62.25 -41.21 98.24 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.335 1.054 . . . . 0.0 111.274 174.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 58.6 tp -54.41 -51.95 63.27 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.454 1.101 . . . . 0.0 110.938 175.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 48.0 t -61.58 -50.72 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.251 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 34.0 t60 -52.12 -58.87 5.27 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.483 1.038 . . . . 0.0 111.761 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.33 -33.02 67.3 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 12.7 p -76.14 -12.62 60.14 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -120.09 -7.78 9.83 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.242 1.417 . . . . 0.0 114.735 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 12.9 t -61.93 116.77 5.15 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.356 1.462 . . . . 0.0 111.41 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -74.73 -6.26 47.86 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.032 1.733 . . . . 0.0 115.546 -175.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 30.8 t30 -135.99 110.84 8.76 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.575 1.15 . . . . 0.0 112.28 -177.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -58.23 -16.04 12.29 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 178.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -90.78 4.89 50.42 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.109 1.764 . . . . 0.0 113.694 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 49.5 t -45.17 122.94 3.65 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.074 2.15 . . . . 0.0 112.348 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 15.4 m -73.54 -4.83 36.39 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 115.9 1.815 . . . . 0.0 115.9 -175.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 13.2 tp -66.18 133.28 94.6 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-N 120.697 1.59 . . . . 0.0 109.854 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -64.36 -38.21 35.55 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 121.719 1.613 . . . . 0.0 111.708 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 20.2 m -63.12 -49.47 74.27 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.982 1.313 . . . . 0.0 111.85 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 35.1 t -55.83 -52.25 64.66 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.465 1.506 . . . . 0.0 110.708 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -54.33 -48.72 71.06 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.779 1.231 . . . . 0.0 112.305 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -60.89 -48.9 79.7 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 118.835 0.743 . . . . 0.0 111.407 175.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 3.1 tpt -54.8 -41.02 70.09 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.938 0.895 . . . . 0.0 112.098 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 13.8 mptt -54.02 -35.41 61.9 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 117.799 -1.096 . . . . 0.0 113.064 177.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -63.36 -54.23 40.05 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 120.181 1.355 . . . . 0.0 111.496 177.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 22.9 m -64.11 -37.3 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-N 118.645 0.657 . . . . 0.0 112.039 178.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 45.7 t -61.12 -46.73 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.137 0.975 . . . . 0.0 110.428 175.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.32 -31.37 72.5 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.749 1.219 . . . . 0.0 111.942 175.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 7.7 t60 -67.84 -64.49 0.85 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.647 0.779 . . . . 0.0 110.262 176.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 13.1 t -54.18 -35.0 61.84 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 114.403 1.261 . . . . 0.0 114.403 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -75.01 -13.2 60.48 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 177.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -127.52 -5.94 5.32 Favored Glycine 0 CA--C 1.539 1.556 0 N-CA-C 116.836 1.494 . . . . 0.0 116.836 -177.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 48.9 t -59.72 154.02 19.02 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.169 1.485 . . . . 0.0 112.774 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.14 0.14 23.2 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 127.41 2.284 . . . . 0.0 113.954 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -119.03 -56.58 2.09 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.903 1.681 . . . . 0.0 111.491 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 45.5 mtpt 52.98 -173.78 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.148 2.179 . . . . 0.0 113.934 -178.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 15.0 p -59.02 -25.77 63.96 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 120.439 -1.413 . . . . 0.0 112.73 176.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 37.3 t30 -58.95 -39.42 81.6 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.071 1.349 . . . . 0.0 111.823 175.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -98.89 -5.33 56.53 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 125.529 1.538 . . . . 0.0 114.082 177.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 94.47 17.66 38.48 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 125.652 1.596 . . . . 0.0 116.013 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 12.1 t -54.67 112.96 4.56 Favored Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 125.427 1.491 . . . . 0.0 112.553 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -55.62 -42.07 71.39 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.912 3.075 . . . . 0.0 114.876 -177.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 41.3 t -61.44 -54.2 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.607 0.763 . . . . 0.0 110.878 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 47.7 m -56.96 -44.62 82.78 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.545 1.138 . . . . 0.0 110.731 177.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -50.69 72.46 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.779 1.231 . . . . 0.0 110.198 175.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -53.79 -45.42 70.7 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.693 1.197 . . . . 0.0 112.02 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.35 -51.02 63.32 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.815 0.734 . . . . 0.0 110.981 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 65.9 mt -60.76 -32.07 51.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 124.427 1.091 . . . . 0.0 111.452 178.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -59.95 -55.11 38.08 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.94 1.296 . . . . 0.0 110.206 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.13 -38.81 90.36 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.472 -0.768 . . . . 0.0 111.565 176.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 72.1 m -61.4 -38.15 86.05 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 118.932 0.787 . . . . 0.0 111.301 173.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 43.2 t -66.44 -48.6 69.44 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.675 1.19 . . . . 0.0 111.036 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 37.6 t80 -57.02 -43.61 82.04 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.012 0.525 . . . . 0.0 110.669 175.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 37.0 t60 -58.59 -58.16 9.79 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.747 0.819 . . . . 0.0 109.808 175.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -52.46 -34.39 48.82 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.92 1.688 . . . . 0.0 114.691 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -56.9 -46.54 81.87 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.988 1.715 . . . . 0.0 111.038 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 49.5 m80 -90.14 -25.24 20.8 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.526 1.93 . . . . 0.0 114.685 -178.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1834 ' ' CYS . . . . . 0.483 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 8.7 t -64.88 164.08 13.16 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.456 1.502 . . . . 0.0 113.694 -178.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -149.02 -5.84 0.39 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.066 1.746 . . . . 0.0 115.196 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -76.01 111.37 11.33 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 120.959 -1.088 . . . . 0.0 111.485 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -59.4 -11.06 3.74 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 116.289 1.959 . . . . 0.0 116.289 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -133.11 27.46 4.19 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.291 2.236 . . . . 0.0 113.064 -178.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 15.0 t -48.49 134.53 13.15 Favored Pre-proline 0 CA--C 1.559 1.302 0 C-N-CA 126.662 1.985 . . . . 0.0 113.123 -178.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -66.68 -21.71 51.4 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 123.796 2.997 . . . . 0.0 115.722 -177.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 75.6 t -64.73 119.4 57.27 Favored Pre-proline 0 N--CA 1.477 0.89 0 CA-C-N 119.599 1.09 . . . . 0.0 110.331 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -47.03 -56.54 2.95 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 124.663 3.575 . . . . 0.0 116.572 -176.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -79.72 -19.02 49.82 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.789 1.404 . . . . 0.0 114.789 -176.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 52.5 t -45.95 -68.86 0.16 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.646 1.578 . . . . 0.0 112.68 -177.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 59.5 mt -54.32 -36.16 63.45 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.239 1.416 . . . . 0.0 113.655 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -63.91 -49.11 73.93 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.463 0.705 . . . . 0.0 110.227 175.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 8.3 mm -59.66 -46.55 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-O 118.562 -0.732 . . . . 0.0 110.473 175.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1848 ' ' LYS . . . . . 0.483 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 69.2 mttt -51.78 -47.27 64.26 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 119.666 1.121 . . . . 0.0 110.992 177.033 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 48.0 t60 -57.68 -49.41 76.6 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.498 0.719 . . . . 0.0 110.805 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -58.06 -40.98 82.36 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 118.735 0.698 . . . . 0.0 111.78 177.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.64 -39.56 91.76 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.455 1.502 . . . . 0.0 112.062 176.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? . . . . . 0 N--CA 1.48 1.06 0 CA-C-N 118.974 0.806 . . . . 0.0 112.625 176.448 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 CA--C 1.541 0.625 0 CA-C-O 121.134 0.492 . . . . 0.0 111.798 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -157.7 135.72 7.38 Favored Pre-proline 0 CA--C 1.549 0.904 0 C-N-CA 126.646 1.978 . . . . 0.0 109.542 176.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -64.74 -12.63 34.92 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.929 2.419 . . . . 0.0 115.547 -177.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -103.58 -7.2 20.98 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.091 1.356 . . . . 0.0 113.214 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -57.57 -35.51 70.47 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -172.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -59.25 -46.98 87.06 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.356 1.062 . . . . 0.0 110.588 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.15 -22.7 66.96 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.459 1.104 . . . . 0.0 113.35 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 38.5 t -79.92 -50.73 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-N 119.06 0.845 . . . . 0.0 109.175 175.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 37.4 m -54.78 -39.2 68.17 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.144 1.377 . . . . 0.0 114.698 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -63.2 -24.78 68.03 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 119.337 0.971 . . . . 0.0 113.1 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 7.4 mt -90.07 -53.58 8.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 125.981 1.712 . . . . 0.0 109.419 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -151.52 101.61 2.93 Favored Pre-proline 0 CA--C 1.551 1.008 0 C-N-CA 127.147 2.179 . . . . 0.0 111.343 179.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -76.1 172.01 17.06 Favored 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 122.46 2.107 . . . . 0.0 110.595 176.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -69.43 -22.02 63.7 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 120.699 -1.25 . . . . 0.0 112.989 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 18.1 m -71.59 -46.88 58.04 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.956 1.702 . . . . 0.0 114.823 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.8 m -144.9 159.36 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 125.213 1.405 . . . . 0.0 112.978 -177.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 48.1 tpp -80.3 65.08 5.33 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.33 1.052 . . . . 0.0 110.857 175.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 56.2 tp -55.71 -25.15 38.69 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.132 1.373 . . . . 0.0 113.202 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.41 -18.6 51.87 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.287 1.035 . . . . 0.0 113.339 175.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 1.8 p -71.62 -13.16 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.243 1.017 . . . . 0.0 112.627 176.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -132.64 -25.34 1.9 Allowed 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -73.72 124.1 25.37 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.026 -1.046 . . . . 0.0 113.102 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -85.96 93.72 1.88 Allowed Glycine 0 CA--C 1.532 1.137 0 C-N-CA 125.354 1.454 . . . . 0.0 111.923 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 7.3 mm -67.83 103.26 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.999 1.32 . . . . 0.0 111.73 -176.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -74.52 61.05 0.91 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.914 2.086 . . . . 0.0 113.225 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 tt . . . . . 0 N--CA 1.475 0.82 0 C-N-CA 124.623 1.169 . . . . 0.0 111.712 176.751 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 34.7 ttm105 . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 71.7 mt -76.88 -40.62 46.88 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.244 1.017 . . . . 0.0 110.908 175.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 62.8 m -65.81 -49.64 67.51 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.697 0.799 . . . . 0.0 112.28 178.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 16.0 tt -56.49 -49.44 77.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.195 1.398 . . . . 0.0 112.437 -179.104 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -63.91 -37.57 87.89 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 118.992 0.815 . . . . 0.0 112.287 178.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -61.24 -51.96 66.74 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.839 1.256 . . . . 0.0 110.703 175.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 85.7 m -57.83 -40.86 81.06 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.748 0.819 . . . . 0.0 111.206 176.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 42.2 mt -60.99 -31.3 49.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 O-C-N 121.292 -0.88 . . . . 0.0 112.525 177.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -63.56 -44.72 93.3 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 120.49 1.495 . . . . 0.0 110.084 174.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 34.8 m -63.53 -35.93 82.12 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.412 1.085 . . . . 0.0 111.881 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 57.7 tp -61.62 -44.84 96.25 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.902 1.281 . . . . 0.0 111.051 176.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 59.0 t -59.66 -50.57 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-O 118.454 -0.784 . . . . 0.0 109.454 175.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 38.3 t60 -53.48 -57.0 12.27 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.316 0.962 . . . . 0.0 111.032 177.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -55.38 -36.11 66.01 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 8.9 p -73.54 -15.8 61.29 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -114.4 -13.74 12.24 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.067 1.347 . . . . 0.0 114.229 178.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 12.5 t -64.04 113.45 3.51 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.472 1.509 . . . . 0.0 111.554 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -3.01 19.76 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 116.32 1.97 . . . . 0.0 116.32 -176.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 30.5 t30 -137.13 111.04 8.21 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.835 1.198 . . . . 0.0 112.055 -178.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.39 -15.05 14.38 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 178.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -91.98 6.54 45.93 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 126.294 1.838 . . . . 0.0 113.503 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 53.7 t -45.39 130.34 8.4 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 127.144 2.178 . . . . 0.0 112.179 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 14.8 m -66.78 -6.08 14.6 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 116.388 1.996 . . . . 0.0 116.388 -174.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 15.7 tp -78.38 124.04 85.65 Favored Pre-proline 0 CA--C 1.55 0.968 0 CA-C-N 120.308 1.413 . . . . 0.0 111.651 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -50.61 -42.59 49.2 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 123.478 2.785 . . . . 0.0 114.911 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 49.9 m -72.16 -37.24 69.4 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -178.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 38.5 t -59.2 -51.48 69.83 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.585 1.154 . . . . 0.0 108.977 175.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -50.3 -49.23 54.22 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.414 1.486 . . . . 0.0 112.051 175.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 83.2 mttt -60.74 -50.09 74.86 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.948 1.299 . . . . 0.0 111.621 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -40.82 81.82 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.096 0.958 . . . . 0.0 112.494 176.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -53.56 -39.96 65.18 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.909 0.884 . . . . 0.0 112.316 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -60.8 -56.31 22.68 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 119.261 0.937 . . . . 0.0 112.002 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 26.9 m -66.46 -36.75 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 3.0 p -67.83 -40.01 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 119.966 1.257 . . . . 0.0 110.939 177.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -63.05 -29.89 71.17 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.637 0.775 . . . . 0.0 111.595 174.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.7 t60 -67.43 -67.59 0.45 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.54 0.736 . . . . 0.0 109.596 174.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 6.2 t -55.75 -33.93 64.75 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 115.016 1.488 . . . . 0.0 115.016 -174.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.83 -15.79 62.67 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 178.005 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -125.17 -9.04 5.28 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 125.284 1.421 . . . . 0.0 116.178 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 52.4 t -56.88 137.07 55.65 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.654 1.582 . . . . 0.0 112.048 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -91.09 -1.08 57.83 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.932 1.693 . . . . 0.0 113.002 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -115.16 -58.97 2.07 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.182 1.793 . . . . 0.0 111.959 -179.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 46.9 mtpt 53.8 -176.55 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.493 2.317 . . . . 0.0 114.213 -177.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 20.0 p -54.67 -40.55 69.21 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.014 1.325 . . . . 0.0 113.166 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -62.2 -21.05 64.81 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.247 1.019 . . . . 0.0 113.582 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -105.3 -2.99 41.42 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 125.989 1.757 . . . . 0.0 113.57 176.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 94.82 10.46 57.67 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.773 1.654 . . . . 0.0 116.061 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 14.0 t -59.28 120.9 52.0 Favored Pre-proline 0 CA--C 1.551 1.015 0 CA-C-N 119.421 1.61 . . . . 0.0 111.935 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -69.01 -40.48 6.43 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.815 2.343 . . . . 0.0 114.206 -177.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 61.2 t -58.06 -56.31 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 119.808 1.186 . . . . 0.0 111.361 -178.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 37.0 m -52.07 -45.6 64.84 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.378 1.471 . . . . 0.0 111.149 178.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.43 -49.35 77.61 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.101 1.36 . . . . 0.0 110.931 176.57 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -60.43 -39.66 88.25 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.089 0.859 . . . . 0.0 112.144 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.85 -50.06 70.32 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-O 121.414 0.626 . . . . 0.0 110.286 176.461 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 62.3 mt -61.34 -29.98 47.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 125.207 1.403 . . . . 0.0 112.283 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -57.43 -47.16 82.51 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 120.029 1.286 . . . . 0.0 111.244 175.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 9.1 mp -67.62 -40.98 84.67 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.976 0.91 . . . . 0.0 110.93 175.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 74.6 m -58.79 -40.91 85.41 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 122.818 0.447 . . . . 0.0 110.989 175.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 44.6 t -64.71 -50.78 65.61 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.3 1.44 . . . . 0.0 111.212 176.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 47.2 t80 -56.39 -42.4 77.87 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.702 0.801 . . . . 0.0 111.257 176.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 41.7 t60 -61.65 -58.71 7.01 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.248 1.019 . . . . 0.0 110.192 174.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -53.17 -32.13 46.17 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.181 1.792 . . . . 0.0 114.827 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -56.5 -47.49 79.17 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.792 1.637 . . . . 0.0 110.922 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -90.12 -25.19 20.84 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.448 1.499 . . . . 0.0 114.385 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 17.8 t -66.07 161.81 20.88 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.963 1.305 . . . . 0.0 113.526 -179.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.59 -0.03 0.56 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 127.199 2.2 . . . . 0.0 114.504 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -68.11 114.33 6.53 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.747 -1.221 . . . . 0.0 111.087 178.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 31.5 t30 -62.99 -17.93 62.71 Favored 'General case' 0 CA--C 1.551 1.015 0 O-C-N 120.594 -1.316 . . . . 0.0 113.754 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 96.7 mttt -131.52 32.97 4.1 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 127.176 2.19 . . . . 0.0 113.05 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 5.7 t -45.75 135.33 6.28 Favored Pre-proline 0 CA--C 1.554 1.126 0 C-N-CA 126.365 1.866 . . . . 0.0 112.451 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -64.02 -23.78 67.37 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 122.693 2.262 . . . . 0.0 114.327 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1841 ' ' VAL . . . . . 0.412 HG12 ' H ' ' A' 1844 ' ' CYS . 87.4 t -71.3 120.36 79.2 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 124.787 1.235 . . . . 0.0 109.183 176.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -65.65 -41.87 13.71 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.817 2.344 . . . . 0.0 114.089 -176.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -71.42 -30.0 65.55 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 179.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1844 ' ' CYS . . . . . 0.412 ' H ' HG12 ' A' 1841 ' ' VAL . 38.3 t -49.87 -65.89 0.49 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.109 1.364 . . . . 0.0 110.949 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 69.4 mt -51.21 -40.66 59.23 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.506 1.522 . . . . 0.0 113.734 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -62.35 -50.01 73.29 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.187 0.595 . . . . 0.0 109.953 176.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 8.3 mm -59.87 -47.01 93.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-O 118.77 -0.633 . . . . 0.0 110.425 175.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -53.58 -45.84 70.11 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.789 1.177 . . . . 0.0 111.073 177.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 55.2 t60 -57.34 -51.57 68.84 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.677 0.791 . . . . 0.0 110.669 176.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 14.2 mptt -54.63 -47.39 73.54 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.414 1.086 . . . . 0.0 111.502 175.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 5.8 mp -61.77 -50.32 72.85 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.371 1.869 . . . . 0.0 113.412 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? . . . . . 0 N--CA 1.476 0.851 0 CA-C-N 118.803 0.729 . . . . 0.0 112.716 179.478 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 CA--C 1.545 0.759 0 CA-C-O 120.938 0.399 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -152.62 133.03 7.53 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 126.158 1.783 . . . . 0.0 109.54 175.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -65.91 -15.61 49.53 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 122.775 2.317 . . . . 0.0 115.342 -177.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -95.13 -12.07 27.1 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.671 1.189 . . . . 0.0 112.977 178.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -59.48 -30.53 68.61 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -174.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.36 -38.18 90.14 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.549 1.14 . . . . 0.0 111.307 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.4 -50.88 23.26 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.427 1.091 . . . . 0.0 110.271 176.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 59.4 t -55.37 -42.99 69.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 123.674 0.79 . . . . 0.0 111.815 178.199 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 70.9 m -53.76 -39.48 65.41 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -73.36 -17.71 61.25 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.698 1.135 . . . . 0.0 113.124 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 7.5 mt -90.05 -57.36 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.59 1.156 . . . . 0.0 109.212 175.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -151.88 101.32 2.86 Favored Pre-proline 0 CA--C 1.551 1.019 0 C-N-CA 126.828 2.051 . . . . 0.0 111.45 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -74.36 175.14 11.39 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 122.846 2.364 . . . . 0.0 111.109 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -75.1 -18.3 60.29 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.634 -1.291 . . . . 0.0 113.128 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 25.5 p -74.11 -51.07 16.79 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.19 1.796 . . . . 0.0 113.781 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 32.8 m -139.82 157.06 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.68 1.592 . . . . 0.0 112.817 -178.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 42.8 ttm -82.12 62.07 5.69 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.579 1.152 . . . . 0.0 110.502 176.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 65.5 tp -47.57 -29.99 3.27 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.264 2.226 . . . . 0.0 114.326 -177.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.85 -19.55 18.1 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.51 1.124 . . . . 0.0 113.968 176.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.7 p -72.15 -20.02 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.054 0.942 . . . . 0.0 112.803 176.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -126.1 -18.48 5.01 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -178.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -120.53 111.24 17.43 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.581 1.552 . . . . 0.0 110.612 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.0 163.32 31.75 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.291 0.948 . . . . 0.0 114.375 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 38.4 mt -101.8 105.64 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 127.078 2.151 . . . . 0.0 108.28 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -75.01 65.4 1.44 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.464 1.106 . . . . 0.0 113.175 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 38.7 tp . . . . . 0 CA--C 1.552 1.05 0 C-N-CA 127.74 2.416 . . . . 0.0 113.811 177.481 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 44.4 ttp85 . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.73 -43.23 84.76 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.323 0.649 . . . . 0.0 111.043 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 69.4 m -59.52 -45.99 90.16 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.499 0.72 . . . . 0.0 111.44 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 62.7 mt -54.28 -63.68 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 126.218 1.807 . . . . 0.0 110.282 177.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -60.61 -35.65 76.67 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -177.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 83.5 mmt-85 -64.94 -53.66 42.93 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.112 0.869 . . . . 0.0 110.538 175.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 33.5 t -61.05 -27.99 68.74 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.559 0.743 . . . . 0.0 112.567 177.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 32.6 mt -65.31 -28.54 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 O-C-N 120.493 -1.38 . . . . 0.0 111.442 175.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -63.54 -44.38 94.38 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.651 -1.28 . . . . 0.0 109.539 174.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 1.5 m -59.88 -42.1 93.01 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.476 1.91 . . . . 0.0 110.79 175.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 5.9 tt -58.58 -56.0 27.74 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.662 1.985 . . . . 0.0 110.429 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 99.2 t -55.58 -51.53 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.718 0.807 . . . . 0.0 110.567 177.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 35.5 t60 -53.07 -56.29 17.32 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.43 0.692 . . . . 0.0 111.434 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -55.67 -31.66 62.57 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 95.6 m -75.54 -14.29 60.4 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 177.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -118.34 -14.8 9.76 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.986 1.314 . . . . 0.0 114.163 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 9.6 t -66.68 121.46 15.45 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.141 1.376 . . . . 0.0 111.663 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -75.3 -8.54 56.91 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.325 1.85 . . . . 0.0 115.462 -177.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 30.3 t30 -137.34 114.25 10.59 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.886 1.221 . . . . 0.0 113.28 -176.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.79 -16.23 26.5 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -91.23 9.02 33.0 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.269 1.828 . . . . 0.0 113.335 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 47.4 t -47.92 138.54 8.77 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.105 2.162 . . . . 0.0 111.714 178.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 81.0 p -72.93 -10.35 59.7 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 115.494 1.665 . . . . 0.0 115.494 -177.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 26.9 tp -74.09 120.24 80.34 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-N 121.016 1.734 . . . . 0.0 112.339 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -49.82 -42.08 45.1 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 123.393 2.729 . . . . 0.0 113.778 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.6 -49.18 78.43 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.307 1.043 . . . . 0.0 112.208 177.263 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 38.0 t -58.34 -55.24 37.51 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.793 1.637 . . . . 0.0 109.921 177.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -48.89 -55.46 11.69 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.449 1.5 . . . . 0.0 112.799 178.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 89.0 mttt -59.1 -50.35 74.41 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.749 1.22 . . . . 0.0 111.808 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 53.3 tpp -60.0 -42.58 94.56 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.194 1.397 . . . . 0.0 113.245 179.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -49.04 -44.18 41.33 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.049 1.34 . . . . 0.0 113.152 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -57.16 -47.95 79.92 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.72 0.808 . . . . 0.0 111.845 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 5.1 t -69.49 -40.31 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.387 1.075 . . . . 0.0 111.74 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 54.1 t -59.49 -44.97 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.046 0.939 . . . . 0.0 109.947 175.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -66.47 -29.65 69.81 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.229 1.011 . . . . 0.0 112.281 176.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 10.6 t60 -71.56 -62.36 1.44 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.92 0.888 . . . . 0.0 110.669 176.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 5.3 t -54.75 -33.85 61.74 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -175.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -71.62 -10.04 59.16 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 178.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -137.58 1.62 2.96 Favored Glycine 0 CA--C 1.538 1.498 0 N-CA-C 117.046 1.578 . . . . 0.0 117.046 -177.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 46.2 t -58.78 141.58 52.61 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.356 1.578 . . . . 0.0 113.091 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -82.25 -8.45 59.64 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.296 1.839 . . . . 0.0 112.775 179.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 72.2 mtt-85 -117.82 -57.09 2.14 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.623 1.969 . . . . 0.0 112.138 178.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1812 ' ' LYS . . . . . 0.411 ' HA ' ' SG ' ' A' 1820 ' ' CYS 0.354 53.7 pttt 52.78 -168.56 0.05 OUTLIER 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.976 2.11 . . . . 0.0 112.719 -169.923 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 60.0 p -49.55 -52.95 26.35 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.097 1.359 . . . . 0.0 113.843 -177.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -66.95 -18.31 65.32 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -94.01 2.46 69.08 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 125.583 1.563 . . . . 0.0 113.516 177.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 85.15 6.94 84.0 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 125.657 1.599 . . . . 0.0 115.841 178.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 45.2 t -66.55 118.74 56.94 Favored Pre-proline 0 CA--C 1.555 1.162 0 CA-C-N 119.117 1.458 . . . . 0.0 111.088 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.58 -32.66 14.8 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.878 2.386 . . . . 0.0 113.666 -177.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 47.2 t -54.13 -60.13 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.057 1.343 . . . . 0.0 110.273 179.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1820 ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' 1812 ' ' LYS . 36.4 m -56.22 -45.52 79.89 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.538 1.535 . . . . 0.0 110.891 177.305 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -45.26 71.11 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 117.466 -1.254 . . . . 0.0 112.913 178.092 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -58.79 -55.14 38.9 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 120.568 1.531 . . . . 0.0 111.974 177.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 15.9 tp -62.34 -48.25 80.62 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.004 0.922 . . . . 0.0 112.015 -179.06 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 45.9 mm -64.11 -36.19 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 O-C-N 121.066 -1.021 . . . . 0.0 111.488 177.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -59.91 -47.06 87.32 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 120.48 1.491 . . . . 0.0 111.309 175.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 7.3 mp -62.27 -40.67 97.01 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.344 0.657 . . . . 0.0 110.664 175.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 24.4 t -60.61 -40.26 91.2 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.687 -0.633 . . . . 0.0 111.159 174.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 96.3 m -62.46 -46.9 86.42 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.242 -0.911 . . . . 0.0 110.977 175.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 36.6 t80 -58.89 -42.31 89.23 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.53 0.732 . . . . 0.0 111.171 176.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 36.2 t60 -60.19 -59.85 4.76 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.147 0.979 . . . . 0.0 110.052 175.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -53.32 -33.46 53.48 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.058 1.743 . . . . 0.0 114.462 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -56.23 -46.58 79.5 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.84 1.656 . . . . 0.0 111.167 177.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 43.0 m80 -90.23 -24.53 20.95 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.443 1.897 . . . . 0.0 114.413 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1834 ' ' CYS . . . . . 0.455 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 8.9 t -63.98 160.41 17.91 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.441 1.496 . . . . 0.0 113.256 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -148.16 -4.19 0.48 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.812 1.645 . . . . 0.0 115.199 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -75.17 116.74 16.23 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.778 -1.201 . . . . 0.0 111.403 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 39.7 t30 -61.32 -17.16 52.42 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 -178.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -133.8 40.0 3.12 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 127.045 2.138 . . . . 0.0 112.633 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 19.2 t -51.93 137.06 36.45 Favored Pre-proline 0 CA--C 1.558 1.264 0 C-N-CA 126.062 1.745 . . . . 0.0 111.701 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -64.51 -21.72 65.81 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.468 2.779 . . . . 0.0 114.942 -177.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 98.9 t -69.82 122.63 86.57 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 124.331 1.052 . . . . 0.0 108.938 177.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -64.58 -45.75 8.38 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.856 2.37 . . . . 0.0 114.551 -175.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -74.3 -25.52 59.63 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.917 1.081 . . . . 0.0 113.917 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 49.4 t -46.26 -64.7 0.69 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.501 1.92 . . . . 0.0 112.183 -178.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 60.0 mt -53.93 -36.86 63.23 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.258 1.423 . . . . 0.0 113.396 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 53.9 t30 -65.04 -46.61 80.55 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.645 0.657 . . . . 0.0 110.296 175.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 10.2 mm -58.13 -48.12 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-O 118.798 -0.62 . . . . 0.0 110.076 176.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1848 ' ' LYS . . . . . 0.455 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 69.9 mttt -52.58 -48.24 66.34 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.465 1.029 . . . . 0.0 111.237 176.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 58.0 t60 -58.03 -48.28 80.56 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.095 0.958 . . . . 0.0 111.553 178.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 10.3 mptt -57.56 -48.12 80.21 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.704 1.602 . . . . 0.0 111.019 175.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 5.3 mp -56.35 -45.22 80.53 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.712 1.605 . . . . 0.0 111.746 176.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? . . . . . 0 N--CA 1.478 0.939 0 C-N-CA 123.888 0.875 . . . . 0.0 113.274 178.182 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 . . . . . 0 CA--C 1.544 0.727 0 CA-C-O 121.065 0.46 . . . . 0.0 111.64 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -155.48 150.23 20.37 Favored Pre-proline 0 CA--C 1.544 0.747 0 C-N-CA 126.628 1.971 . . . . 0.0 110.004 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -72.46 -13.38 27.68 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 122.372 2.048 . . . . 0.0 114.509 -176.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -83.01 -28.07 29.92 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -59.56 -29.21 67.77 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.406 1.082 . . . . 0.0 112.969 -177.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -62.37 -42.03 99.09 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.208 1.803 . . . . 0.0 110.84 176.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.13 -47.37 44.73 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.44 1.096 . . . . 0.0 110.526 174.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 83.5 t -52.94 -47.58 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.257 1.023 . . . . 0.0 110.997 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 69.0 m -50.62 -43.12 56.78 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.62 1.568 . . . . 0.0 114.968 -178.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -75.24 -13.66 60.46 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 14.1 mt -90.14 -52.67 10.27 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 C-N-CA 125.44 1.496 . . . . 0.0 108.338 173.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -158.03 110.21 1.75 Allowed Pre-proline 0 CA--C 1.554 1.106 0 C-N-CA 129.352 3.061 . . . . 0.0 112.709 176.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -79.78 175.76 10.19 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 123.12 2.547 . . . . 0.0 111.335 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -77.9 -27.25 49.53 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 120.864 -1.148 . . . . 0.0 113.002 178.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 17.6 m -66.56 -42.12 87.56 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.508 1.523 . . . . 0.0 114.698 -177.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 27.9 m -145.16 155.29 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.391 1.476 . . . . 0.0 112.273 -178.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 91.1 mmm -80.29 65.13 5.34 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.084 0.954 . . . . 0.0 110.821 175.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 42.2 tp -53.04 -25.55 12.88 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.718 1.607 . . . . 0.0 112.109 177.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.37 -30.09 17.69 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.486 1.914 . . . . 0.0 114.247 176.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 2.5 p -73.97 -8.89 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -133.53 12.83 4.12 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.182 1.793 . . . . 0.0 113.977 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -135.98 159.69 40.91 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.354 1.462 . . . . 0.0 112.142 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -142.18 171.56 24.54 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.638 1.589 . . . . 0.0 113.312 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 29.9 mm -118.95 127.93 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 126.024 1.73 . . . . 0.0 112.046 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -76.96 65.56 2.65 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.595 1.958 . . . . 0.0 110.857 175.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 62.0 tp . . . . . 0 N--CA 1.473 0.681 0 C-N-CA 125.631 1.572 . . . . 0.0 112.58 178.832 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 . . . . . 0 N--CA 1.478 0.969 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 41.2 mt -75.83 -43.48 45.78 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.341 1.056 . . . . 0.0 110.4 174.186 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 59.5 m -62.85 -47.02 85.2 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.233 -0.917 . . . . 0.0 112.725 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 19.6 tt -57.32 -51.36 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 O-C-N 121.135 -0.978 . . . . 0.0 111.572 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -64.55 -33.1 75.11 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.078 0.853 . . . . 0.0 112.868 178.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -66.08 -51.23 60.03 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.17 0.988 . . . . 0.0 110.82 175.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 37.1 t -57.24 -37.0 71.63 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 119.032 0.833 . . . . 0.0 111.145 175.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 35.4 mt -60.86 -27.35 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 C-N-CA 124.334 1.054 . . . . 0.0 112.629 175.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -65.2 -45.79 83.34 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.506 1.503 . . . . 0.0 109.826 173.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 16.4 m -58.69 -40.35 83.37 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.065 1.346 . . . . 0.0 111.115 174.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 62.3 tp -59.52 -53.21 60.71 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.97 1.308 . . . . 0.0 110.669 175.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 83.0 t -55.67 -50.79 65.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.652 177.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 36.3 t60 -52.63 -57.71 9.17 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.986 0.812 . . . . 0.0 111.126 178.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.66 -28.53 63.84 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 85.4 m -77.66 -16.29 58.62 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 176.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -114.49 -16.42 11.91 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 10.2 t -64.16 130.06 42.43 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.979 1.712 . . . . 0.0 111.926 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.94 -10.68 59.8 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.744 1.618 . . . . 0.0 115.123 -177.199 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 33.4 t30 -136.77 113.51 10.29 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.434 1.094 . . . . 0.0 113.324 -175.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -57.68 -17.31 14.21 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 177.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -87.52 -1.15 57.74 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.438 1.495 . . . . 0.0 113.917 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 52.3 t -46.85 113.06 0.59 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 127.191 2.196 . . . . 0.0 111.378 178.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 91.9 p -67.34 -3.36 7.94 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 116.705 2.113 . . . . 0.0 116.705 -173.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 19.1 tp -61.71 122.32 70.56 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.306 1.443 . . . . 0.0 110.369 178.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -47.92 -40.86 32.94 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.534 2.823 . . . . 0.0 114.681 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 23.6 m -59.11 -53.21 60.88 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.161 1.385 . . . . 0.0 111.839 176.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 5.4 t -61.21 -53.68 53.87 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.286 1.834 . . . . 0.0 110.344 178.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -44.91 -60.4 2.07 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.4 1.88 . . . . 0.0 112.109 176.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 89.2 mttt -57.43 -56.74 18.0 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.1 0.96 . . . . 0.0 111.272 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 45.5 tpp -56.16 -39.11 71.81 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.677 1.191 . . . . 0.0 113.953 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -53.38 -41.12 65.57 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.055 -1.028 . . . . 0.0 113.02 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -56.93 -51.76 67.89 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 119.338 0.972 . . . . 0.0 111.971 178.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 30.5 m -71.72 -32.23 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 24.3 t -62.22 -46.79 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 O-C-N 121.19 -0.944 . . . . 0.0 109.838 174.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -62.98 -25.61 68.45 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.243 1.017 . . . . 0.0 112.366 175.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 13.2 t60 -71.67 -64.69 0.88 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.919 0.888 . . . . 0.0 110.765 175.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 14.9 t -54.06 -35.34 61.93 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -175.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -70.93 -11.65 61.09 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.911 1.448 . . . . 0.0 114.911 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -128.22 -10.49 3.39 Favored Glycine 0 CA--C 1.541 1.667 0 C-N-CA 125.277 1.418 . . . . 0.0 116.337 -178.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 45.9 t -57.69 131.82 51.4 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 119.189 1.494 . . . . 0.0 112.102 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -81.61 -6.5 59.06 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.034 1.734 . . . . 0.0 114.823 -176.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -127.66 -36.8 2.02 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 28.8 mtmm 48.93 -159.85 0.05 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.69 1.996 . . . . 0.0 113.699 -178.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 37.7 p -58.22 -30.06 66.2 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.889 1.275 . . . . 0.0 112.69 176.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 35.4 t30 -59.2 -41.49 88.67 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.816 1.246 . . . . 0.0 111.613 176.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -90.02 -2.53 74.55 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 125.524 1.535 . . . . 0.0 113.813 175.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 88.12 19.0 54.7 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 125.802 1.668 . . . . 0.0 116.094 177.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 8.0 t -57.36 114.47 8.29 Favored Pre-proline 0 CA--C 1.554 1.109 0 CA-C-N 119.109 1.454 . . . . 0.0 113.161 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.83 -41.95 72.13 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 124.0 3.133 . . . . 0.0 114.701 -178.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 31.8 t -58.5 -54.63 30.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 124.115 0.966 . . . . 0.0 110.45 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 34.0 m -59.01 -45.77 89.85 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.431 1.492 . . . . 0.0 110.405 177.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1821 ' ' LYS . . . . . 0.426 ' O ' ' HE2' ' A' 1821 ' ' LYS . 0.0 OUTLIER -54.63 -47.67 73.18 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.394 1.078 . . . . 0.0 110.597 176.39 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -54.74 -49.2 71.39 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.051 0.841 . . . . 0.0 111.472 176.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1823 ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' 1823 ' ' LEU . 28.5 mt -64.39 -43.44 94.46 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 119.162 -0.447 . . . . 0.0 111.887 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 27.4 mm -66.1 -35.2 74.46 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 119.072 0.851 . . . . 0.0 111.291 175.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -61.3 -54.31 45.52 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.682 1.193 . . . . 0.0 111.256 176.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 8.6 mp -64.26 -38.36 90.78 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.25 0.62 . . . . 0.0 111.034 177.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 42.8 t -60.68 -44.6 96.29 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.603 -0.686 . . . . 0.0 111.072 174.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 42.1 t -58.37 -51.23 70.67 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.211 1.004 . . . . 0.0 110.554 176.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 29.8 t80 -56.31 -45.61 80.19 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.528 0.731 . . . . 0.0 111.4 176.052 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 42.6 t60 -58.66 -60.02 4.48 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.876 0.87 . . . . 0.0 110.556 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -55.58 -30.24 60.5 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.172 1.789 . . . . 0.0 114.589 -178.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -57.37 -45.36 84.52 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.578 1.551 . . . . 0.0 110.764 176.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 43.7 m80 -89.87 -29.74 18.37 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.649 1.98 . . . . 0.0 114.371 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 26.8 t -64.18 155.55 31.37 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.601 1.561 . . . . 0.0 113.721 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -143.56 1.48 1.19 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 127.397 2.279 . . . . 0.0 113.497 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.49 122.34 19.49 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 120.389 -1.444 . . . . 0.0 111.366 -178.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 33.6 t30 -64.64 -25.64 68.04 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -129.73 35.08 4.22 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.347 2.259 . . . . 0.0 112.243 -178.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 7.2 t -45.43 131.99 6.1 Favored Pre-proline 0 CA--C 1.555 1.143 0 C-N-CA 126.367 1.867 . . . . 0.0 112.787 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -64.39 -23.19 65.44 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.285 2.657 . . . . 0.0 115.102 -177.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 88.6 t -66.54 115.89 28.8 Favored Pre-proline 0 N--CA 1.476 0.873 0 C-N-CA 124.853 1.261 . . . . 0.0 109.615 177.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -48.2 -52.27 8.62 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 124.351 3.367 . . . . 0.0 116.383 -176.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -80.74 -20.07 43.58 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -177.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 42.0 t -48.0 -63.09 1.16 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.419 1.487 . . . . 0.0 112.46 -177.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 58.2 mt -54.57 -36.02 63.92 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.325 1.05 . . . . 0.0 113.465 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 54.3 t30 -64.53 -46.73 81.6 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.869 0.759 . . . . 0.0 109.987 175.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 8.5 mm -59.25 -50.03 81.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 175.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -54.21 -44.37 71.57 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 119.284 0.947 . . . . 0.0 111.599 177.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 59.6 t60 -60.41 -48.48 81.56 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.031 0.932 . . . . 0.0 111.323 177.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 9.4 mptt -57.56 -46.26 84.17 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.785 1.634 . . . . 0.0 111.14 175.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 6.5 mp -58.93 -40.43 84.55 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.156 1.382 . . . . 0.0 112.076 176.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 54.0 mmm-85 . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 176.742 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 110.218 -0.289 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -145.25 117.86 5.31 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 125.101 1.36 . . . . 0.0 109.432 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -49.68 -30.86 23.5 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 123.734 2.956 . . . . 0.0 115.988 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -72.68 -20.47 61.23 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.49 1.116 . . . . 0.0 113.519 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -58.7 -33.84 70.62 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -175.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.25 -35.56 79.32 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.549 1.139 . . . . 0.0 111.437 178.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.23 -19.86 59.54 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.996 0.919 . . . . 0.0 112.811 176.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 17.0 t -79.06 -50.48 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 123.64 0.776 . . . . 0.0 109.117 175.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 72.9 m -47.26 -45.85 24.12 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.071 1.748 . . . . 0.0 115.601 -178.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -61.27 -25.39 67.06 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 7.1 mt -90.13 -53.9 8.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 C-N-CA 126.456 1.902 . . . . 0.0 108.505 177.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -157.41 114.11 1.89 Allowed Pre-proline 0 CA--C 1.554 1.114 0 C-N-CA 127.058 2.143 . . . . 0.0 111.772 177.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -77.24 175.83 10.86 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 123.104 2.536 . . . . 0.0 112.167 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -75.13 -20.5 59.37 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.968 -1.083 . . . . 0.0 113.062 178.384 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 31.4 p -71.1 -46.91 60.82 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.015 1.726 . . . . 0.0 113.92 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 33.5 m -139.74 149.83 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.519 1.528 . . . . 0.0 112.106 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 83.5 mtp -79.85 65.2 4.94 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.89 0.876 . . . . 0.0 111.077 176.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 10.6 tp -57.06 -17.01 8.57 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.429 1.492 . . . . 0.0 112.888 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.75 -29.31 11.12 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.803 2.041 . . . . 0.0 113.447 174.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 4.1 p -73.99 -8.73 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.005 1.322 . . . . 0.0 113.652 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -134.6 -25.37 1.48 Allowed 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -74.79 156.7 36.25 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.494 1.117 . . . . 0.0 112.522 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -124.23 155.88 18.19 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.997 1.761 . . . . 0.0 112.471 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 53.2 mt -128.33 121.81 56.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.26 1.424 . . . . 0.0 110.764 -176.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -80.86 65.57 6.05 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.572 1.549 . . . . 0.0 111.55 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.479 0.987 0 C-N-CA 127.124 2.17 . . . . 0.0 112.613 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 43.8 ttm105 . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.7 mp -67.94 -46.6 71.03 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.055 1.342 . . . . 0.0 110.939 176.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 74.0 m -58.06 -46.42 85.44 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.507 0.723 . . . . 0.0 111.412 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 34.3 mt -56.03 -61.23 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 126.672 1.989 . . . . 0.0 110.477 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -60.97 -38.33 85.57 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -177.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 19.3 mmt85 -61.49 -52.18 65.58 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.974 0.909 . . . . 0.0 110.15 175.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 37.3 t -55.9 -41.15 74.06 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.639 0.775 . . . . 0.0 111.068 175.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 53.6 mt -62.01 -32.77 55.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 O-C-N 121.134 -0.979 . . . . 0.0 112.823 176.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -62.32 -44.27 96.9 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.766 1.621 . . . . 0.0 110.076 174.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 22.0 m -63.38 -39.18 93.83 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.019 1.328 . . . . 0.0 111.796 176.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.27 -51.69 68.47 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.518 1.527 . . . . 0.0 110.072 176.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 80.9 t -56.42 -50.06 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.133 176.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 19.2 t60 -51.5 -59.41 4.28 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.951 0.796 . . . . 0.0 110.731 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.27 -26.44 60.82 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 91.6 m -81.9 -13.54 57.41 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 176.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -120.04 -13.93 8.94 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 14.7 t -58.25 123.97 17.86 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.202 1.801 . . . . 0.0 111.661 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -73.82 -7.06 50.74 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.767 2.027 . . . . 0.0 116.366 -176.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 27.3 t30 -140.23 114.99 9.53 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.598 1.159 . . . . 0.0 112.465 -176.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.95 -15.07 19.08 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 177.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -95.45 10.15 37.48 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 126.678 1.991 . . . . 0.0 113.672 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 46.5 t -44.52 137.37 3.78 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 127.369 2.267 . . . . 0.0 113.899 -178.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 20.2 m -78.82 -9.77 59.57 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.544 1.537 . . . . 0.0 114.928 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 1.7 tm? -70.55 115.67 37.56 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 126.063 1.745 . . . . 0.0 109.721 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -48.69 -41.31 38.12 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.505 2.804 . . . . 0.0 115.04 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 2.4 m -68.49 -35.9 78.16 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.399 0.68 . . . . 0.0 112.753 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 26.0 t -63.63 -51.22 66.17 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.133 1.373 . . . . 0.0 108.421 175.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -53.01 -48.82 67.25 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.948 1.299 . . . . 0.0 111.509 175.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 87.5 mttt -57.12 -51.4 69.46 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.863 1.265 . . . . 0.0 111.27 175.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -41.93 75.35 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.063 0.945 . . . . 0.0 112.741 177.263 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -52.45 -30.78 31.39 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 117.639 -1.172 . . . . 0.0 113.469 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -63.51 -59.74 4.26 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 119.994 1.27 . . . . 0.0 111.17 175.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 35.9 m -65.01 -32.95 60.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 53.6 t -62.85 -46.98 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.113 0.965 . . . . 0.0 109.611 174.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.06 -30.17 70.8 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.593 1.157 . . . . 0.0 111.87 175.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 9.4 t60 -71.28 -65.65 0.72 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.059 0.944 . . . . 0.0 111.082 177.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 7.3 t -54.75 -33.64 61.5 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -175.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -70.13 -11.96 61.26 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 177.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -135.61 -0.13 3.32 Favored Glycine 0 CA--C 1.538 1.476 0 N-CA-C 116.862 1.505 . . . . 0.0 116.862 -177.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 44.2 t -57.28 130.05 44.49 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.564 1.682 . . . . 0.0 112.717 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -74.91 -10.44 59.5 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.872 1.669 . . . . 0.0 114.339 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -130.3 -33.04 1.73 Allowed 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -178.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1812 ' ' LYS . . . . . 0.401 ' HG2' ' H ' ' A' 1813 ' ' THR . 21.6 tttp 51.9 -161.74 0.09 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.361 1.864 . . . . 0.0 113.123 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1813 ' ' THR . . . . . 0.401 ' H ' ' HG2' ' A' 1812 ' ' LYS . 17.6 p -60.44 -28.4 68.27 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.494 -1.379 . . . . 0.0 112.452 175.533 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 33.9 t30 -58.59 -42.69 88.65 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.963 1.305 . . . . 0.0 111.623 176.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -89.22 -3.71 75.35 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 125.178 1.37 . . . . 0.0 114.028 176.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 88.26 22.15 42.3 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 125.532 1.539 . . . . 0.0 115.907 177.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 8.0 t -57.77 122.88 60.08 Favored Pre-proline 0 CA--C 1.554 1.12 0 CA-C-N 118.799 1.299 . . . . 0.0 112.947 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.69 -44.11 48.44 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 123.257 2.638 . . . . 0.0 114.491 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 11.8 t -60.58 -56.13 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 123.852 0.861 . . . . 0.0 110.761 -177.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 17.4 m -53.81 -49.77 67.62 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 126.178 1.791 . . . . 0.0 110.018 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.81 -48.73 77.3 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 118.894 0.77 . . . . 0.0 111.429 176.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -59.83 -44.07 94.23 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.858 0.863 . . . . 0.0 112.232 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1823 ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' 1823 ' ' LEU . 7.7 mt -62.44 -54.05 45.87 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.723 0.692 . . . . 0.0 110.479 175.496 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 36.3 mm -55.71 -38.79 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 124.033 0.933 . . . . 0.0 111.818 178.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -57.71 -52.77 64.07 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.757 1.162 . . . . 0.0 111.334 176.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.75 -45.44 89.83 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.831 1.252 . . . . 0.0 111.55 177.329 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 99.2 m -58.44 -39.35 79.59 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.897 0.771 . . . . 0.0 111.216 174.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 49.8 t -67.46 -48.04 68.38 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.406 1.083 . . . . 0.0 111.297 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 5.7 t80 -58.19 -40.46 81.6 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.402 0.546 . . . . 0.0 110.749 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 39.9 t60 -61.26 -58.59 7.68 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.061 0.944 . . . . 0.0 110.078 173.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -52.5 -33.71 46.24 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.815 1.646 . . . . 0.0 114.297 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -54.6 -48.76 71.78 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.357 1.863 . . . . 0.0 111.121 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -90.24 -21.13 22.27 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.875 1.67 . . . . 0.0 114.875 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 6.7 t -63.94 165.02 9.39 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.629 1.171 . . . . 0.0 113.964 -178.149 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -151.59 -6.65 0.24 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.258 1.823 . . . . 0.0 115.393 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -72.63 122.49 21.5 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.753 -1.217 . . . . 0.0 112.164 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 35.1 t30 -64.74 -17.86 64.52 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -136.28 42.67 2.54 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.947 2.099 . . . . 0.0 112.324 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 10.7 t -53.46 136.46 52.02 Favored Pre-proline 0 CA--C 1.559 1.29 0 C-N-CA 125.438 1.495 . . . . 0.0 111.791 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -64.27 -25.14 64.67 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 123.309 2.673 . . . . 0.0 114.841 -177.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 91.0 t -68.2 118.53 59.98 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 124.392 1.077 . . . . 0.0 108.744 177.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -65.24 -36.14 37.7 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.687 2.258 . . . . 0.0 114.1 -175.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -76.51 -29.34 56.74 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 44.4 t -48.85 -64.97 0.65 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.691 1.596 . . . . 0.0 111.393 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 1.3 mp -50.49 -42.88 55.25 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 126.244 1.818 . . . . 0.0 113.347 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -62.39 -48.78 78.23 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.718 0.807 . . . . 0.0 110.38 177.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 8.3 mm -58.49 -45.16 90.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-O 118.338 -0.839 . . . . 0.0 110.794 175.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 65.3 mttt -51.65 -45.37 63.33 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-N 120.147 1.339 . . . . 0.0 111.62 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 50.7 t60 -59.76 -50.86 72.16 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.403 0.681 . . . . 0.0 110.941 176.376 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 14.2 mptt -56.34 -42.1 77.15 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.917 0.887 . . . . 0.0 111.759 176.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.6 mp -61.28 -42.54 98.81 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.597 1.559 . . . . 0.0 112.072 176.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 176.884 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 . . . . . 0 CA--C 1.541 0.602 0 CA-C-O 121.135 0.493 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -150.44 133.62 8.63 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 124.526 1.13 . . . . 0.0 110.22 -178.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -65.8 -14.61 45.47 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 122.832 2.355 . . . . 0.0 115.254 -176.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -90.45 -16.98 27.96 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.992 0.917 . . . . 0.0 113.251 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -57.96 -32.15 67.56 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -174.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -64.91 -48.04 75.6 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.996 1.318 . . . . 0.0 111.103 177.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.12 -24.53 67.45 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.307 1.043 . . . . 0.0 113.079 177.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 64.1 t -80.98 -48.61 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.724 1.21 . . . . 0.0 109.783 175.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 12.2 t -46.14 -46.34 17.12 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.72 2.008 . . . . 0.0 114.409 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -62.44 -24.71 67.58 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 178.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 11.3 mt -90.03 -53.08 9.73 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 127.135 2.174 . . . . 0.0 108.524 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -155.08 108.61 2.28 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 127.47 2.308 . . . . 0.0 111.786 176.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -79.21 177.92 8.06 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 122.998 2.465 . . . . 0.0 111.396 177.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -75.22 -30.12 60.48 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -177.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 23.5 m -71.61 -39.92 70.14 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -176.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.9 m -143.49 157.3 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.834 1.254 . . . . 0.0 113.0 -177.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 51.1 ttm -80.46 66.69 6.05 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.388 1.075 . . . . 0.0 110.336 175.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 40.5 tp -58.41 -21.85 52.13 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.65 1.18 . . . . 0.0 112.858 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.37 -40.37 49.31 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.114 1.366 . . . . 0.0 114.188 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 35.0 m -67.17 -8.97 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 CA-C-N 120.642 1.564 . . . . 0.0 113.477 177.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -116.59 3.88 13.15 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 128.099 2.559 . . . . 0.0 112.713 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -130.79 174.44 9.96 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.772 1.629 . . . . 0.0 113.12 -173.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.62 162.99 31.92 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 126.023 1.773 . . . . 0.0 112.295 177.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 66.7 mt -123.08 115.12 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 125.873 1.669 . . . . 0.0 108.785 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -77.99 56.85 1.66 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.341 1.056 . . . . 0.0 112.754 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 10.5 tt . . . . . 0 N--CA 1.476 0.829 0 C-N-CA 124.938 1.295 . . . . 0.0 112.419 179.081 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.5 mp -74.88 -46.39 36.51 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.915 0.886 . . . . 0.0 110.332 175.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 59.0 m -61.67 -47.67 84.26 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.636 0.774 . . . . 0.0 112.657 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 16.6 tt -57.07 -49.96 77.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.744 0.818 . . . . 0.0 111.498 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -66.5 -41.98 88.09 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.063 0.847 . . . . 0.0 112.484 178.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 72.2 mmt-85 -57.07 -46.53 82.43 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.465 1.03 . . . . 0.0 111.572 176.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 42.9 t -61.96 -40.93 97.26 Favored 'General case' 0 CA--C 1.543 0.712 0 O-C-N 122.014 -0.429 . . . . 0.0 110.74 174.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 45.0 mt -60.71 -36.65 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.091 0.956 . . . . 0.0 112.483 176.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -58.01 -45.67 86.52 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 120.693 1.588 . . . . 0.0 109.982 173.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 52.9 m -68.12 -31.13 70.51 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 58.6 tp -62.72 -50.86 69.44 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.332 1.053 . . . . 0.0 109.492 174.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 92.6 t -56.08 -48.48 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 123.7 0.8 . . . . 0.0 109.929 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 28.3 t60 -52.96 -59.66 4.25 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.756 0.822 . . . . 0.0 110.749 176.348 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -56.25 -31.01 63.16 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 88.9 m -71.87 -16.33 62.14 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 177.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -118.45 -15.58 9.63 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.064 1.346 . . . . 0.0 114.194 177.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 11.9 t -51.41 113.69 1.03 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.503 2.321 . . . . 0.0 112.503 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -69.39 -20.06 63.82 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.752 2.021 . . . . 0.0 115.239 -175.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 34.0 t30 -123.34 110.52 15.27 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.256 1.423 . . . . 0.0 112.429 -176.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -56.95 -17.54 10.04 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 178.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -90.54 -0.01 57.51 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.809 1.644 . . . . 0.0 114.384 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 48.6 t -40.86 108.66 0.09 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 127.256 2.222 . . . . 0.0 112.468 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 79.6 p -71.22 1.48 5.97 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 116.908 2.188 . . . . 0.0 116.908 -173.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 20.9 tp -60.96 123.74 76.7 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 124.857 1.263 . . . . 0.0 108.704 177.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -45.13 -44.65 15.32 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.502 2.802 . . . . 0.0 114.935 -177.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 37.3 m -71.04 -42.18 69.84 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 5.6 t -58.7 -45.83 88.65 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.922 1.289 . . . . 0.0 109.528 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -50.58 -47.39 57.95 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.793 1.237 . . . . 0.0 112.235 175.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -66.51 -51.95 51.16 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 119.344 0.975 . . . . 0.0 111.09 177.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 53.0 tpp -53.7 -41.76 67.29 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 126.283 1.833 . . . . 0.0 113.229 -177.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.72 -47.77 50.36 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.339 1.456 . . . . 0.0 112.865 178.009 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -60.07 -47.24 86.7 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 118.984 0.811 . . . . 0.0 112.337 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 2.6 t -69.77 -43.37 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.802 0.841 . . . . 0.0 112.53 -177.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 8.2 p -64.91 -37.64 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 119.272 0.942 . . . . 0.0 110.904 176.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -64.22 -27.97 69.42 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.022 0.929 . . . . 0.0 112.1 174.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.6 t60 -70.6 -66.92 0.54 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.906 0.882 . . . . 0.0 109.862 175.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 4.9 t -56.11 -34.59 66.18 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -174.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -66.77 -13.34 61.34 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 178.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -137.33 3.0 3.25 Favored Glycine 0 CA--C 1.538 1.495 0 N-CA-C 116.424 1.33 . . . . 0.0 116.424 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 49.5 t -57.47 129.36 41.47 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.226 1.513 . . . . 0.0 112.997 -178.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 23.1 tptm -70.68 -16.92 62.84 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.799 1.64 . . . . 0.0 112.411 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 39.6 ttm105 -107.33 -58.85 1.9 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.479 1.912 . . . . 0.0 111.858 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 32.9 tttt 53.52 -171.88 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 127.389 2.275 . . . . 0.0 113.2 -176.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 25.5 p -58.5 -31.08 67.55 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 120.399 -1.438 . . . . 0.0 112.568 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 38.9 t30 -58.22 -35.43 71.66 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.036 1.335 . . . . 0.0 112.229 175.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -101.51 4.75 54.38 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 126.094 1.807 . . . . 0.0 113.965 177.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 83.95 18.15 63.84 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 125.237 1.398 . . . . 0.0 116.376 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 10.4 t -57.67 115.2 10.15 Favored Pre-proline 0 CA--C 1.553 1.073 0 CA-C-N 119.459 1.63 . . . . 0.0 112.114 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -56.9 -44.69 42.32 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.211 2.607 . . . . 0.0 114.096 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 58.6 t -54.44 -60.09 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.423 1.489 . . . . 0.0 111.358 -178.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 35.2 m -52.49 -46.71 66.7 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.967 1.707 . . . . 0.0 110.972 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -47.83 81.61 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.642 1.177 . . . . 0.0 110.926 176.306 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -60.0 -41.95 93.22 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.472 1.033 . . . . 0.0 112.063 178.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.71 -49.68 69.9 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 118.53 0.605 . . . . 0.0 110.855 177.435 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 61.9 mt -62.47 -30.36 48.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 125.021 1.329 . . . . 0.0 112.087 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -57.1 -47.2 81.64 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.926 1.239 . . . . 0.0 111.104 175.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 9.1 mp -68.36 -36.25 78.94 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.738 0.815 . . . . 0.0 111.077 176.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 82.6 m -60.53 -40.32 91.07 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.606 0.639 . . . . 0.0 110.734 174.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 93.7 m -64.26 -49.33 72.29 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.102 0.961 . . . . 0.0 111.024 176.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 42.1 t80 -58.92 -40.95 86.1 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.234 0.613 . . . . 0.0 111.524 177.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 47.4 t60 -60.92 -58.62 7.68 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.173 0.989 . . . . 0.0 110.173 174.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -54.51 -30.22 52.82 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.57 1.548 . . . . 0.0 114.746 -178.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -57.68 -44.71 85.96 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.222 1.409 . . . . 0.0 111.033 177.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 46.3 m80 -90.07 -30.09 17.93 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.552 1.941 . . . . 0.0 113.975 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 14.3 t -65.44 156.5 32.18 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.159 1.384 . . . . 0.0 113.311 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -142.64 -3.8 1.0 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.823 2.049 . . . . 0.0 113.875 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -72.29 119.01 15.89 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.639 -1.288 . . . . 0.0 111.62 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.78 -17.11 63.9 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 -178.41 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -132.67 32.8 3.82 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.59 1.956 . . . . 0.0 113.269 -177.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 13.4 t -50.71 136.83 25.41 Favored Pre-proline 0 CA--C 1.557 1.232 0 C-N-CA 126.484 1.914 . . . . 0.0 112.302 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -64.63 -24.03 63.1 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 123.343 2.695 . . . . 0.0 114.788 -177.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 94.3 t -66.05 123.97 86.54 Favored Pre-proline 0 N--CA 1.475 0.799 0 C-N-CA 124.221 1.009 . . . . 0.0 109.047 177.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -63.13 -47.91 7.32 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 123.011 2.474 . . . . 0.0 114.68 -174.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -73.08 -29.33 62.87 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 114.052 1.131 . . . . 0.0 114.052 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 41.4 t -42.37 -66.16 0.39 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.261 1.825 . . . . 0.0 112.641 -177.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 57.6 mt -53.52 -38.63 63.93 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.911 1.285 . . . . 0.0 113.912 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 51.9 t30 -63.61 -50.21 70.29 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.857 0.753 . . . . 0.0 109.626 175.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 13.1 mm -57.18 -47.89 83.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-O 118.926 -0.559 . . . . 0.0 110.573 177.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -53.04 -44.17 67.19 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.582 1.083 . . . . 0.0 111.647 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 33.2 t60 -62.67 -48.86 77.49 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.188 0.595 . . . . 0.0 111.187 175.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -56.92 -31.29 64.77 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.937 1.695 . . . . 0.0 112.297 176.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 5.0 mp -78.1 -44.97 24.68 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.198 1.799 . . . . 0.0 112.117 176.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 179.01 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 CA--C 1.544 0.716 0 CA-C-O 120.816 0.341 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -149.63 149.46 28.46 Favored Pre-proline 0 CA--C 1.544 0.736 0 C-N-CA 125.709 1.604 . . . . 0.0 109.849 175.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -72.25 -8.69 23.2 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 122.383 2.055 . . . . 0.0 114.866 -176.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -93.06 -17.85 23.34 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -178.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -62.4 -30.34 71.14 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.832 1.197 . . . . 0.0 113.439 -173.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -70.26 -27.11 64.18 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.518 1.527 . . . . 0.0 112.008 175.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.71 -33.14 17.63 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.646 1.578 . . . . 0.0 112.391 177.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 98.0 t -76.53 -51.16 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.713 1.205 . . . . 0.0 111.119 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 44.1 m -56.55 -34.9 67.52 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 -176.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -67.3 -22.41 65.63 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 121.605 -0.684 . . . . 0.0 112.84 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 13.2 mt -90.14 -51.74 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 126.208 1.803 . . . . 0.0 109.35 176.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -152.09 101.6 2.82 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 127.695 2.398 . . . . 0.0 112.777 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -80.92 179.69 5.79 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 123.492 2.794 . . . . 0.0 112.053 177.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -77.21 -20.66 55.01 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.833 -1.167 . . . . 0.0 113.81 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 25.2 p -73.41 -47.28 43.06 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.726 1.61 . . . . 0.0 113.848 -178.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.8 m -141.52 155.41 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.916 1.687 . . . . 0.0 112.329 -178.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 47.2 ttm -82.43 65.65 7.65 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.671 0.788 . . . . 0.0 110.038 175.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 57.5 tp -50.69 -23.66 2.81 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 126.662 1.985 . . . . 0.0 113.6 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.09 -24.18 24.3 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.043 1.337 . . . . 0.0 113.284 174.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.6 p -72.7 -16.73 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 O-C-N 121.207 -0.933 . . . . 0.0 112.349 176.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -111.33 -38.22 5.05 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.669 1.988 . . . . 0.0 112.741 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -65.3 153.12 42.04 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.32 1.848 . . . . 0.0 113.974 -177.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -137.92 86.67 0.22 Allowed Glycine 0 CA--C 1.531 1.079 0 C-N-CA 127.149 2.309 . . . . 0.0 109.874 178.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 83.7 mt -58.14 130.94 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 125.803 1.641 . . . . 0.0 111.782 -176.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -72.41 45.71 0.14 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.643 2.377 . . . . 0.0 113.863 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 63.3 tp . . . . . 0 N--CA 1.48 1.061 0 O-C-N 120.653 -1.279 . . . . 0.0 110.652 172.744 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 44.2 ttm105 . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 112.295 0.479 . . . . 0.0 112.295 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.6 mp -67.22 -42.31 84.28 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.496 1.118 . . . . 0.0 110.68 175.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 48.9 m -63.46 -42.8 98.63 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.477 -0.765 . . . . 0.0 111.469 177.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 41.7 mt -55.83 -61.92 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 125.804 1.642 . . . . 0.0 110.138 176.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -59.78 -33.99 72.42 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -65.78 -54.88 21.18 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.035 0.934 . . . . 0.0 110.847 175.336 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 38.4 t -56.92 -36.02 69.71 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.639 0.654 . . . . 0.0 111.553 176.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 34.5 mt -58.88 -30.72 43.53 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 O-C-N 121.157 -0.965 . . . . 0.0 112.428 175.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -63.46 -47.23 82.7 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 120.431 1.468 . . . . 0.0 110.122 175.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 19.1 m -62.4 -37.61 86.45 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.964 1.306 . . . . 0.0 111.79 176.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.33 -52.77 63.85 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.952 1.301 . . . . 0.0 110.421 175.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 91.6 t -55.14 -50.08 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-O 118.562 -0.733 . . . . 0.0 110.087 177.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -52.76 -57.99 8.33 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.466 0.706 . . . . 0.0 110.843 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -55.06 -31.44 61.14 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 95.4 m -76.38 -13.93 60.1 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 178.041 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -119.56 -12.62 9.28 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.192 1.397 . . . . 0.0 114.092 178.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 8.8 t -63.55 120.55 11.94 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.878 1.671 . . . . 0.0 112.145 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -72.98 -6.9 48.45 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.145 1.778 . . . . 0.0 114.177 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 43.3 t30 -127.28 112.87 15.57 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.949 1.3 . . . . 0.0 112.744 -177.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -63.17 -11.15 18.53 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 176.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 14.4 m120 -118.13 28.51 8.33 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 127.259 2.224 . . . . 0.0 112.671 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 52.7 t -50.63 152.79 1.86 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.468 2.307 . . . . 0.0 112.637 178.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 17.7 m -80.51 -14.61 58.11 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 -177.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 18.0 tp -69.99 133.02 88.15 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-N 120.761 1.619 . . . . 0.0 109.558 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -63.56 -37.38 48.02 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 121.757 1.638 . . . . 0.0 113.243 -175.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 49.5 m -72.28 -38.43 68.8 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 38.1 t -57.79 -51.13 70.85 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.857 1.263 . . . . 0.0 109.918 177.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -47.67 -51.79 20.46 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.383 1.473 . . . . 0.0 112.471 176.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -72.84 -41.55 64.71 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.669 -0.644 . . . . 0.0 112.581 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 61.3 tpp -58.96 -40.63 85.34 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.57 1.148 . . . . 0.0 112.186 178.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -51.94 -39.71 59.63 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.097 0.959 . . . . 0.0 112.671 177.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -58.91 -55.95 28.52 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 119.18 0.9 . . . . 0.0 111.935 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 23.2 m -64.41 -35.45 74.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 118.853 0.752 . . . . 0.0 112.324 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 41.9 t -60.86 -49.35 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.708 0.803 . . . . 0.0 110.176 175.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -64.71 -26.73 68.5 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.872 0.869 . . . . 0.0 112.561 176.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 5.2 t60 -68.85 -66.88 0.52 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.023 0.929 . . . . 0.0 109.799 176.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 5.5 t -56.2 -34.76 66.56 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -174.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -68.95 -9.88 54.37 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -144.3 16.01 2.09 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 125.166 1.365 . . . . 0.0 115.874 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 43.1 t -57.34 145.72 31.39 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 118.851 1.326 . . . . 0.0 113.1 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -70.28 -18.87 63.13 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.235 1.414 . . . . 0.0 113.144 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -140.61 -26.62 0.74 Allowed 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 177.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1812 ' ' LYS . . . . . 0.449 ' HG2' ' H ' ' A' 1813 ' ' THR . 42.2 tttt 50.58 -163.06 0.05 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.501 1.92 . . . . 0.0 113.299 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1813 ' ' THR . . . . . 0.449 ' H ' ' HG2' ' A' 1812 ' ' LYS . 19.9 p -59.86 -26.62 66.0 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 120.382 -1.449 . . . . 0.0 112.745 176.265 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 32.8 t30 -59.53 -43.87 93.35 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.852 1.261 . . . . 0.0 111.423 175.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -89.35 -7.16 69.99 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 124.989 1.281 . . . . 0.0 113.843 176.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 95.75 20.37 26.71 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.673 1.606 . . . . 0.0 116.162 177.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 10.0 t -54.97 113.42 5.38 Favored Pre-proline 0 CA--C 1.555 1.163 0 CA-C-N 119.152 1.476 . . . . 0.0 112.539 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -58.73 -36.26 97.39 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 123.184 2.589 . . . . 0.0 113.873 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 48.9 t -59.66 -62.16 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.17 1.388 . . . . 0.0 110.012 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 49.6 m -52.88 -48.85 66.84 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.149 1.779 . . . . 0.0 111.72 178.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -51.99 64.39 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.497 1.119 . . . . 0.0 111.053 178.098 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -65.02 -31.88 73.32 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.55 -50.15 64.09 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.341 0.973 . . . . 0.0 109.401 173.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 69.4 mt -62.42 -30.5 49.2 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 125.663 1.585 . . . . 0.0 111.706 178.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -56.85 -49.62 74.9 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 119.721 1.146 . . . . 0.0 110.886 175.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 7.2 mp -67.54 -38.95 84.92 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.144 0.977 . . . . 0.0 110.972 176.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 83.8 m -58.92 -41.86 88.29 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.848 0.749 . . . . 0.0 110.991 174.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 44.7 t -65.76 -48.98 70.01 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.014 1.325 . . . . 0.0 111.257 177.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 3.6 t80 -58.98 -37.69 77.41 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.271 0.628 . . . . 0.0 111.124 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 30.9 t60 -63.81 -58.48 6.7 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.893 1.277 . . . . 0.0 109.946 173.344 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -52.42 -32.56 39.75 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.051 1.74 . . . . 0.0 114.631 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -54.96 -45.97 74.97 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.942 1.697 . . . . 0.0 111.135 177.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 48.2 m80 -90.17 -27.85 19.29 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 127.007 2.123 . . . . 0.0 114.462 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 8.7 t -63.02 154.28 31.18 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.04 1.336 . . . . 0.0 113.803 -177.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -137.87 -4.87 1.74 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.765 2.026 . . . . 0.0 114.184 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -73.37 118.87 16.84 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.535 -1.353 . . . . 0.0 111.894 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -16.38 60.07 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -178.08 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -136.73 38.66 2.62 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 126.781 2.032 . . . . 0.0 112.681 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 14.0 t -52.08 136.92 38.08 Favored Pre-proline 0 CA--C 1.558 1.288 0 C-N-CA 125.866 1.666 . . . . 0.0 112.408 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -65.14 -24.08 59.57 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 123.477 2.785 . . . . 0.0 115.174 -177.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 70.3 t -64.39 116.02 24.74 Favored Pre-proline 0 N--CA 1.477 0.915 0 C-N-CA 124.733 1.213 . . . . 0.0 109.504 178.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -47.98 -51.61 9.64 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 124.298 3.332 . . . . 0.0 116.252 -176.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -78.4 -22.44 47.8 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 -176.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 42.7 t -44.1 -66.22 0.41 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.935 1.694 . . . . 0.0 112.803 -176.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 6.3 mp -49.44 -46.04 47.24 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.456 1.902 . . . . 0.0 113.543 177.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 15.0 m120 -61.83 -44.98 95.75 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.449 0.7 . . . . 0.0 110.852 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 9.5 mm -59.86 -46.26 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-O 118.716 -0.659 . . . . 0.0 110.3 175.002 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 57.2 mttt -52.4 -46.35 66.26 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 119.791 1.178 . . . . 0.0 111.325 177.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 55.2 t60 -58.33 -46.59 85.91 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.851 0.86 . . . . 0.0 111.545 177.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -59.37 -45.53 91.19 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.712 1.205 . . . . 0.0 111.271 175.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 6.1 mp -59.17 -32.54 70.0 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.266 1.426 . . . . 0.0 112.988 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 . . . . . 0 N--CA 1.479 1.02 0 CA-C-N 119.728 1.149 . . . . 0.0 113.474 175.965 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 CA--C 1.541 0.614 0 CA-C-O 121.392 0.615 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -159.44 121.7 1.9 Allowed Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 127.305 2.242 . . . . 0.0 107.784 177.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -63.05 -18.32 64.59 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 122.535 2.157 . . . . 0.0 114.346 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -86.33 -12.16 50.15 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.273 1.429 . . . . 0.0 113.422 178.109 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -27.47 67.56 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -175.674 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -64.89 -41.15 95.87 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.977 0.911 . . . . 0.0 110.878 177.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.27 -38.59 75.11 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.34 1.056 . . . . 0.0 111.578 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 92.7 t -64.66 -44.38 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.806 0.842 . . . . 0.0 110.269 176.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 72.8 m -53.25 -43.9 67.72 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.646 1.578 . . . . 0.0 115.174 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -67.24 -19.14 65.48 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 119.324 0.965 . . . . 0.0 113.484 178.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 17.7 mt -90.13 -50.81 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 C-N-CA 126.223 1.809 . . . . 0.0 109.241 177.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -156.67 102.57 1.98 Allowed Pre-proline 0 CA--C 1.559 1.295 0 C-N-CA 128.309 2.644 . . . . 0.0 111.529 176.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -82.18 -18.5 7.33 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 124.132 3.221 . . . . 0.0 115.684 -176.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -142.37 -178.98 6.01 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.144 1.778 . . . . 0.0 110.095 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 16.4 m -58.36 -13.03 4.4 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.193 1.397 . . . . 0.0 114.637 178.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.4 m -63.22 145.14 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 126.216 1.806 . . . . 0.0 111.836 177.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 21.5 mmt -81.78 55.22 2.65 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.028 0.931 . . . . 0.0 111.529 178.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 44.6 tp -54.31 -29.54 47.97 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 120.92 -1.112 . . . . 0.0 112.837 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.06 -22.09 36.53 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.638 0.775 . . . . 0.0 112.994 174.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.24 -19.68 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 O-C-N 120.692 -1.255 . . . . 0.0 112.836 176.237 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -122.38 -25.74 4.75 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.913 1.685 . . . . 0.0 113.839 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -74.45 167.61 21.36 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.37 1.468 . . . . 0.0 111.205 176.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -148.36 92.0 0.15 Allowed Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.208 0.909 . . . . 0.0 114.422 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 64.9 mt -54.97 125.77 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 124.658 1.183 . . . . 0.0 109.272 175.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -75.9 57.91 1.1 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.355 1.462 . . . . 0.0 113.352 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 61.1 tp . . . . . 0 N--CA 1.474 0.774 0 C-N-CA 125.936 1.695 . . . . 0.0 113.047 178.23 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 6.1 mp -68.41 -30.5 69.42 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 41.0 m -58.42 -46.76 85.83 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.494 1.043 . . . . 0.0 111.723 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 54.6 mt -58.54 -63.0 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 125.345 1.458 . . . . 0.0 110.743 178.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -59.45 -34.72 72.87 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -178.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -63.49 -53.33 53.72 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.799 0.84 . . . . 0.0 110.406 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 32.2 t -57.71 -33.55 68.52 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 118.827 0.74 . . . . 0.0 111.768 176.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 53.5 mt -65.68 -27.52 41.66 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 O-C-N 121.106 -0.996 . . . . 0.0 112.246 176.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -63.63 -46.32 86.22 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 120.569 1.532 . . . . 0.0 109.395 173.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 9.0 m -59.55 -39.08 82.82 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.756 1.623 . . . . 0.0 111.515 175.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 61.1 tp -59.79 -53.96 51.8 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.12 1.368 . . . . 0.0 110.023 175.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 98.4 t -55.61 -50.51 66.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.534 177.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 30.0 t60 -51.46 -60.41 3.17 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.608 0.763 . . . . 0.0 111.121 177.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.65 -27.48 62.87 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -178.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 89.1 m -78.12 -14.54 59.44 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 176.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -118.41 -13.92 9.76 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.156 1.382 . . . . 0.0 114.263 178.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 13.4 t -59.91 116.96 4.49 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.543 1.937 . . . . 0.0 111.918 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -71.75 -6.94 45.02 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.72 2.008 . . . . 0.0 116.18 -176.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 32.9 t30 -137.09 110.21 7.77 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.617 1.167 . . . . 0.0 112.18 -177.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -56.92 -17.4 9.43 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 178.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -87.98 -0.03 56.5 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 125.771 1.628 . . . . 0.0 114.013 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 44.0 t -46.23 111.2 0.34 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.99 2.116 . . . . 0.0 111.454 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 78.6 p -74.36 2.01 10.34 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 -175.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 14.4 tp -61.26 127.34 87.99 Favored Pre-proline 0 CA--C 1.545 0.77 0 C-N-CA 124.655 1.182 . . . . 0.0 109.4 177.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -56.01 -37.23 96.46 Favored 'Trans proline' 0 CA--C 1.536 0.591 0 C-N-CA 122.934 2.423 . . . . 0.0 113.746 -176.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 75.6 m -64.54 -48.98 73.07 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.365 1.066 . . . . 0.0 111.978 176.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 8.6 t -61.55 -51.99 66.31 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.734 1.614 . . . . 0.0 109.839 177.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -46.95 -58.37 4.02 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.229 1.812 . . . . 0.0 111.604 175.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -57.26 -52.08 66.78 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.908 0.883 . . . . 0.0 112.035 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 40.1 tpp -56.69 -38.74 72.69 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.823 0.849 . . . . 0.0 113.051 178.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -55.39 -34.0 63.96 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 117.897 -1.049 . . . . 0.0 113.076 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -59.75 -57.74 11.58 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 120.269 1.395 . . . . 0.0 111.312 176.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 28.9 m -64.13 -36.17 76.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 43.3 t -62.07 -50.62 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.186 0.994 . . . . 0.0 110.432 175.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -61.59 -30.11 70.47 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.8 1.24 . . . . 0.0 112.436 176.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.8 t60 -72.16 -64.31 0.97 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.412 1.085 . . . . 0.0 110.91 176.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 11.7 t -54.02 -34.96 61.33 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 114.53 1.308 . . . . 0.0 114.53 -176.224 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -69.25 -11.33 60.71 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -139.62 0.92 2.27 Favored Glycine 0 CA--C 1.538 1.509 0 N-CA-C 117.001 1.561 . . . . 0.0 117.001 -177.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 52.9 t -57.34 141.83 45.67 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.341 1.57 . . . . 0.0 113.156 -178.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -74.58 -9.69 58.82 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.09 1.756 . . . . 0.0 112.908 177.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 20.5 mtm180 -120.08 -59.58 1.78 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.248 1.819 . . . . 0.0 113.644 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 52.8 mtpt 56.72 -164.89 0.15 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.555 1.142 . . . . 0.0 110.781 -169.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 17.4 p -56.05 -46.1 79.03 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.726 -1.234 . . . . 0.0 112.642 178.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 11.4 p30 -62.08 -28.47 69.63 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -91.55 -7.71 64.72 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 125.196 1.379 . . . . 0.0 113.887 177.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 87.08 17.94 58.51 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.545 1.545 . . . . 0.0 115.881 177.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 24.5 t -61.93 117.44 29.09 Favored Pre-proline 0 CA--C 1.553 1.061 0 CA-C-N 118.829 1.315 . . . . 0.0 112.382 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -57.13 -39.79 88.09 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.3 2.666 . . . . 0.0 113.692 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 60.7 t -58.8 -63.09 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.282 1.033 . . . . 0.0 109.97 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 41.2 m -53.34 -52.89 57.72 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.773 1.629 . . . . 0.0 111.927 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.3 -50.16 65.49 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.98 0.912 . . . . 0.0 111.438 178.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -66.2 -30.32 70.76 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 178.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.95 -49.66 69.47 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 118.778 0.717 . . . . 0.0 109.078 172.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 31.2 mm -60.96 -31.99 51.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.654 1.182 . . . . 0.0 111.779 177.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -56.53 -45.64 81.02 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 120.362 1.437 . . . . 0.0 111.577 175.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 7.2 mp -69.47 -37.74 77.43 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.892 0.877 . . . . 0.0 110.962 175.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 84.6 m -60.3 -38.05 82.45 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 118.852 0.751 . . . . 0.0 110.697 173.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 95.9 m -67.07 -48.52 68.01 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.395 1.078 . . . . 0.0 111.27 176.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 29.1 t80 -58.06 -40.31 80.68 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.375 0.534 . . . . 0.0 110.839 176.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 46.6 t60 -61.67 -59.69 4.8 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.122 0.969 . . . . 0.0 110.053 174.328 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -53.18 -31.53 43.28 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.087 1.755 . . . . 0.0 114.672 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -57.25 -47.35 81.59 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.802 1.641 . . . . 0.0 111.103 177.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 44.5 m80 -90.15 -27.91 19.28 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.488 1.915 . . . . 0.0 114.611 -178.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 17.9 t -63.82 149.83 46.08 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.881 1.272 . . . . 0.0 113.86 -177.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -138.86 1.07 2.04 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 127.363 2.265 . . . . 0.0 113.236 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.29 106.03 4.94 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.288 1.435 . . . . 0.0 110.063 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.24 -25.05 12.8 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.332 1.453 . . . . 0.0 114.594 -177.642 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 97.4 mttt -130.0 33.52 4.38 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.553 1.941 . . . . 0.0 112.727 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 12.1 t -43.57 134.44 3.6 Favored Pre-proline 0 CA--C 1.556 1.175 0 C-N-CA 126.999 2.119 . . . . 0.0 113.407 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -64.34 -23.8 65.24 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 123.227 2.618 . . . . 0.0 114.735 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 96.9 t -66.4 123.3 85.15 Favored Pre-proline 0 N--CA 1.476 0.837 0 C-N-CA 124.18 0.992 . . . . 0.0 108.991 177.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -64.09 -44.85 11.4 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.919 2.413 . . . . 0.0 114.666 -174.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -75.46 -30.34 59.93 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.093 1.145 . . . . 0.0 114.093 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 41.0 t -41.36 -67.5 0.25 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.567 1.947 . . . . 0.0 113.046 -177.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 51.0 mt -55.36 -36.7 66.6 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.475 1.11 . . . . 0.0 113.751 -179.187 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -64.02 -48.89 74.56 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.64 0.655 . . . . 0.0 109.715 175.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 14.0 mm -58.64 -47.75 87.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 119.005 -0.521 . . . . 0.0 110.6 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -52.14 -45.66 65.07 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 119.419 1.008 . . . . 0.0 111.649 177.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 54.4 t60 -62.36 -50.65 70.74 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.903 0.881 . . . . 0.0 111.17 176.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -54.77 -40.11 69.06 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.424 1.49 . . . . 0.0 111.925 176.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 3.0 mp -60.23 -41.37 92.98 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.611 1.565 . . . . 0.0 112.618 177.004 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? . . . . . 0 N--CA 1.479 1.011 0 CA-C-N 118.883 0.765 . . . . 0.0 112.226 176.935 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 CA--C 1.542 0.645 0 CA-C-O 121.04 0.448 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -153.36 136.86 10.18 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 124.649 1.18 . . . . 0.0 110.687 -178.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -68.31 -14.7 40.94 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 122.416 2.078 . . . . 0.0 115.132 -177.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -95.56 -12.98 24.83 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.656 1.182 . . . . 0.0 113.865 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -57.94 -37.15 73.6 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.438 1.017 . . . . 0.0 113.651 -174.096 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -58.76 -40.27 83.4 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.17 1.788 . . . . 0.0 112.034 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.38 -20.69 60.69 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 177.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 12.5 t -82.5 -48.86 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.316 1.046 . . . . 0.0 110.657 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 71.2 m -51.32 -36.69 43.83 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 -177.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -67.79 -24.39 65.31 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 8.2 mt -90.11 -54.31 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 126.629 1.971 . . . . 0.0 109.725 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -152.43 100.89 2.77 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 126.953 2.101 . . . . 0.0 111.57 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.11 172.87 15.52 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 122.537 2.158 . . . . 0.0 111.392 177.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -69.46 -21.46 63.72 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.774 -1.204 . . . . 0.0 114.12 -178.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 19.9 m -78.45 -43.91 25.99 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.388 1.475 . . . . 0.0 114.684 -177.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 32.9 m -143.58 157.03 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 124.999 1.32 . . . . 0.0 112.713 -177.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 34.3 mtp -82.72 65.5 7.88 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.875 0.87 . . . . 0.0 111.24 175.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 37.3 tp -52.0 -25.82 9.3 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.189 1.796 . . . . 0.0 113.696 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.83 -13.64 6.76 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.235 1.414 . . . . 0.0 114.339 175.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.9 p -73.57 -17.31 17.49 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 124.097 0.959 . . . . 0.0 111.73 173.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -130.69 -30.84 1.82 Allowed 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 -177.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.69 167.56 21.56 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 120.661 1.573 . . . . 0.0 112.871 178.348 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.4 108.07 0.98 Allowed Glycine 0 CA--C 1.533 1.203 0 C-N-CA 125.438 1.494 . . . . 0.0 113.821 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 20.1 mt -60.14 128.3 20.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.824 1.25 . . . . 0.0 110.681 177.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -72.51 42.68 0.1 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 127.834 2.454 . . . . 0.0 114.427 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 43.2 tp . . . . . 0 N--CA 1.477 0.914 0 C-N-CA 126.133 1.773 . . . . 0.0 113.745 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 3.3 mp -72.97 -52.46 14.44 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.298 -0.876 . . . . 0.0 109.954 175.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 73.7 m -53.93 -50.33 66.66 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.237 -0.914 . . . . 0.0 112.545 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 17.4 tt -60.57 -48.64 87.71 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 123.513 0.725 . . . . 0.0 112.254 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -65.88 -34.87 79.14 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.599 1.09 . . . . 0.0 113.194 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -60.01 -52.69 64.31 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.658 1.183 . . . . 0.0 110.161 176.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 27.1 t -59.55 -35.59 74.53 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 122.593 0.357 . . . . 0.0 111.819 175.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 40.9 mt -63.54 -29.43 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 121.184 -0.948 . . . . 0.0 111.9 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -62.4 -45.15 94.42 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 120.359 1.436 . . . . 0.0 109.869 174.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 9.8 m -61.88 -41.26 97.66 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.0 1.32 . . . . 0.0 111.235 176.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 69.4 tp -57.27 -53.03 62.76 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.045 1.338 . . . . 0.0 110.747 175.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 95.3 t -57.02 -52.22 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.459 0.703 . . . . 0.0 110.413 177.042 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 41.3 t60 -52.92 -56.66 14.28 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.852 0.861 . . . . 0.0 111.459 178.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -56.82 -30.06 63.38 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 85.3 m -75.33 -13.4 60.41 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 176.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -118.46 -18.84 9.05 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.047 1.339 . . . . 0.0 114.282 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 10.9 t -63.78 116.92 6.21 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.828 1.651 . . . . 0.0 111.87 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -72.06 -18.76 61.91 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.565 1.946 . . . . 0.0 115.405 -176.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 29.2 t30 -127.38 112.46 15.04 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.761 1.224 . . . . 0.0 112.988 -175.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -58.67 -15.93 14.01 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 177.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -90.68 7.28 40.23 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 126.144 1.778 . . . . 0.0 113.508 178.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 41.8 t -45.77 133.1 8.49 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.369 2.268 . . . . 0.0 111.859 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 79.6 p -68.7 -5.5 20.71 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 116.507 2.04 . . . . 0.0 116.507 -175.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 29.4 tp -76.75 118.7 73.51 Favored Pre-proline 0 CA--C 1.551 1.008 0 CA-C-N 120.214 1.37 . . . . 0.0 111.12 179.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -49.96 -40.98 49.24 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.475 2.783 . . . . 0.0 115.066 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 88.3 p -73.59 -33.49 64.64 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 49.5 t -61.37 -51.82 67.18 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.214 1.405 . . . . 0.0 109.427 175.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -48.49 -51.12 28.75 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.68 1.592 . . . . 0.0 111.874 176.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 94.1 mttt -62.0 -53.81 50.34 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.587 1.155 . . . . 0.0 111.233 177.06 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 52.3 tpp -60.31 -28.57 68.23 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.931 1.293 . . . . 0.0 114.391 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -56.34 -44.16 79.77 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 120.545 -1.347 . . . . 0.0 111.281 175.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -62.04 -39.89 93.89 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.977 0.911 . . . . 0.0 111.554 176.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1802 ' ' VAL . . . . . 0.467 HG12 HD22 ' A' 1823 ' ' LEU . 58.1 t -60.78 -58.3 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 126.16 1.784 . . . . 0.0 111.426 178.504 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 7.7 p -61.56 -36.93 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 118.914 0.779 . . . . 0.0 112.069 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -65.89 -23.41 66.64 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.505 1.122 . . . . 0.0 113.302 175.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 19.2 t60 -70.87 -66.3 0.63 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.423 1.011 . . . . 0.0 110.461 177.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 10.9 t -52.92 -37.85 61.26 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 -176.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -68.61 -11.34 59.92 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -136.37 7.71 4.01 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.515 1.531 . . . . 0.0 115.812 -178.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 49.7 t -59.03 142.57 50.92 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.991 1.395 . . . . 0.0 112.516 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -71.35 -16.99 62.45 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.605 1.562 . . . . 0.0 113.608 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.47 -23.8 0.59 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 12.0 tttp 53.26 -165.39 0.08 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.161 1.784 . . . . 0.0 113.488 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 17.9 p -59.22 -28.8 67.0 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.998 1.319 . . . . 0.0 112.295 174.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 33.4 t30 -57.97 -46.35 85.28 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.335 1.454 . . . . 0.0 111.727 176.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -86.74 -8.97 75.65 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.544 1.069 . . . . 0.0 113.887 176.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 98.62 21.19 17.25 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.431 1.491 . . . . 0.0 116.315 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 12.8 t -55.3 115.06 8.28 Favored Pre-proline 0 CA--C 1.556 1.177 0 CA-C-N 119.357 1.578 . . . . 0.0 111.869 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -54.88 -48.85 19.0 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.694 2.929 . . . . 0.0 114.241 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -60.2 -49.26 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.656 1.182 . . . . 0.0 111.507 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 85.4 m -55.57 -48.62 74.48 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.297 0.953 . . . . 0.0 110.084 175.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1821 ' ' LYS . . . . . 0.405 ' HE2' ' O ' ' A' 1821 ' ' LYS . 0.1 OUTLIER -56.21 -47.36 78.55 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.36 -0.837 . . . . 0.0 111.064 177.046 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -60.02 -43.33 95.32 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.574 -0.703 . . . . 0.0 111.973 177.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1823 ' ' LEU . . . . . 0.467 HD22 HG12 ' A' 1802 ' ' VAL . 25.6 tp -64.56 -47.78 77.46 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.144 -0.973 . . . . 0.0 111.439 177.561 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 34.4 mm -61.4 -32.37 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 123.9 0.88 . . . . 0.0 111.21 176.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -57.9 -46.68 84.56 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.822 1.192 . . . . 0.0 111.175 174.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 8.0 mp -67.26 -40.69 86.25 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.954 0.901 . . . . 0.0 111.29 176.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 77.7 m -58.8 -42.58 89.41 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 118.597 0.635 . . . . 0.0 110.497 175.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 45.2 t -65.01 -50.98 64.15 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.116 1.366 . . . . 0.0 111.2 176.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 11.7 t80 -57.29 -38.4 73.9 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.715 0.806 . . . . 0.0 111.551 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 54.7 t60 -64.44 -59.67 4.06 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.179 0.992 . . . . 0.0 109.888 173.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -52.83 -32.75 46.01 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.873 1.669 . . . . 0.0 114.838 -178.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -56.37 -45.53 80.45 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.779 1.632 . . . . 0.0 111.244 177.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 43.4 m80 -90.01 -27.76 19.54 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.239 1.816 . . . . 0.0 113.743 -179.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 11.5 t -67.29 164.96 17.26 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.094 1.358 . . . . 0.0 113.15 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -154.77 -3.42 0.16 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.637 1.975 . . . . 0.0 114.674 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -69.34 116.19 9.48 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 120.807 -1.183 . . . . 0.0 110.848 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -16.83 57.85 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -177.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -129.86 29.42 4.99 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.626 1.97 . . . . 0.0 113.459 -178.124 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 8.9 t -49.01 134.49 14.82 Favored Pre-proline 0 CA--C 1.556 1.187 0 C-N-CA 126.293 1.837 . . . . 0.0 111.57 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -64.37 -23.2 65.56 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 123.354 2.703 . . . . 0.0 115.097 -176.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 89.1 t -69.4 118.42 62.09 Favored Pre-proline 0 N--CA 1.474 0.756 0 C-N-CA 124.361 1.064 . . . . 0.0 108.528 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -64.52 -38.11 34.62 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.511 2.141 . . . . 0.0 113.801 -176.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -74.43 -29.23 61.4 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 118.286 -0.864 . . . . 0.0 113.302 179.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 37.6 t -49.76 -66.32 0.41 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.19 1.396 . . . . 0.0 111.187 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 69.4 mt -51.64 -41.3 61.21 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.728 1.611 . . . . 0.0 113.5 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -61.5 -50.56 72.22 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.601 0.761 . . . . 0.0 110.114 176.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 7.9 mm -59.73 -46.98 92.91 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 CA-C-O 118.663 -0.684 . . . . 0.0 110.595 175.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -52.78 -46.56 67.64 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 119.825 1.193 . . . . 0.0 111.135 177.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 56.1 t60 -58.92 -49.13 78.98 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.175 0.99 . . . . 0.0 111.358 176.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 14.4 mptt -56.83 -44.39 82.03 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.753 1.221 . . . . 0.0 111.563 175.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 5.0 mp -57.51 -34.4 69.06 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.136 1.374 . . . . 0.0 112.721 177.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 59.1 mmt-85 . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 113.807 1.039 . . . . 0.0 113.807 176.701 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 CA--C 1.542 0.669 0 CA-C-O 120.94 0.4 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -155.41 151.76 23.19 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 125.99 1.716 . . . . 0.0 110.424 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -74.13 -9.03 21.7 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.402 2.068 . . . . 0.0 114.587 -177.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -87.57 -30.2 20.71 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.363 -0.836 . . . . 0.0 113.22 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -60.26 -27.49 67.29 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.328 1.051 . . . . 0.0 112.416 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -59.57 -38.68 81.79 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.105 1.762 . . . . 0.0 111.207 175.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.64 -43.9 21.95 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.344 1.058 . . . . 0.0 110.738 175.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 46.3 t -58.32 -36.75 59.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 O-C-N 121.486 -0.759 . . . . 0.0 111.353 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 66.7 m -59.42 -24.54 63.57 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 115.773 1.768 . . . . 0.0 115.773 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -90.03 -22.37 21.9 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.95 1.25 . . . . 0.0 112.515 175.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 10.7 mt -90.32 -54.03 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 126.073 1.749 . . . . 0.0 112.383 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -143.83 75.43 16.05 Favored Pre-proline 0 CA--C 1.556 1.19 0 C-N-CA 127.221 2.208 . . . . 0.0 111.312 -178.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -65.15 171.17 9.4 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 122.17 1.913 . . . . 0.0 113.107 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -63.66 -19.9 65.27 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 120.982 -1.074 . . . . 0.0 113.796 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 22.1 p -78.66 -52.76 7.96 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.19 1.796 . . . . 0.0 113.378 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 35.4 m -144.38 160.28 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 125.631 1.572 . . . . 0.0 113.874 -176.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 83.7 mtp -87.5 66.53 9.06 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.056 0.942 . . . . 0.0 108.877 172.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 12.0 tp -48.31 -27.67 2.66 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.219 1.808 . . . . 0.0 115.63 -173.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.3 -21.14 13.47 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 176.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 6.3 p -68.2 -17.56 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 O-C-N 121.015 -1.053 . . . . 0.0 112.272 175.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -133.15 -1.24 3.26 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.399 1.88 . . . . 0.0 115.206 -178.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -134.74 146.41 49.39 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.68 1.592 . . . . 0.0 111.982 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -99.85 145.49 17.43 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.949 1.261 . . . . 0.0 113.645 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 38.7 mt -80.55 152.45 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.415 1.486 . . . . 0.0 111.847 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 47.1 p-10 -69.11 27.18 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 128.552 2.741 . . . . 0.0 116.015 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 27.5 tp . . . . . 0 N--CA 1.475 0.8 0 C-N-CA 126.694 1.998 . . . . 0.0 113.151 178.59 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 6.2 mp -73.46 -52.74 12.6 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.191 0.996 . . . . 0.0 109.695 174.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 37.8 m -52.17 -51.12 59.95 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.711 0.804 . . . . 0.0 112.692 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 16.7 tt -61.14 -50.43 80.54 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 124.098 0.959 . . . . 0.0 112.393 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -64.3 -39.28 93.61 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.608 1.094 . . . . 0.0 112.639 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 15.3 mmp_? -60.09 -54.06 50.36 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.415 1.086 . . . . 0.0 110.026 176.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 33.6 t -55.53 -38.83 69.77 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.134 0.574 . . . . 0.0 111.774 176.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 40.7 mt -64.83 -28.81 45.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 O-C-N 121.161 -0.962 . . . . 0.0 112.662 176.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -63.39 -46.37 86.75 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 120.651 1.568 . . . . 0.0 109.853 173.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 51.1 m -60.21 -38.76 84.32 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.983 1.313 . . . . 0.0 111.78 176.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 64.1 tp -60.5 -50.87 71.82 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.892 1.277 . . . . 0.0 110.556 176.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 95.2 t -56.37 -48.14 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.589 177.051 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 27.2 t60 -52.05 -58.21 7.22 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.01 0.823 . . . . 0.0 110.884 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.33 -28.46 63.12 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 97.1 m -78.12 -14.19 59.57 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 177.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -120.01 -14.1 8.93 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 9.2 t -59.28 121.64 11.89 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.693 1.597 . . . . 0.0 111.992 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -76.2 -13.8 60.17 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.777 2.031 . . . . 0.0 115.388 -175.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 30.3 t30 -131.55 111.6 11.89 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.819 1.247 . . . . 0.0 112.712 -176.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -57.63 -17.23 13.47 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 177.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -89.25 4.47 48.61 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.041 1.737 . . . . 0.0 113.8 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 49.5 t -46.35 123.85 5.19 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.961 2.104 . . . . 0.0 111.864 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 78.8 p -77.57 -1.53 31.16 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -176.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 16.2 tp -65.59 131.21 94.76 Favored Pre-proline 0 CA--C 1.548 0.894 0 CA-C-N 119.994 1.27 . . . . 0.0 110.505 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -54.92 -43.11 62.52 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 122.607 2.205 . . . . 0.0 113.095 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 68.6 m -62.47 -49.34 75.81 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.315 1.446 . . . . 0.0 112.748 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 12.9 t -56.5 -51.54 68.12 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.054 1.342 . . . . 0.0 110.118 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -55.11 -47.72 74.6 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.668 1.187 . . . . 0.0 112.742 177.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -57.38 -52.38 65.61 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 118.957 0.799 . . . . 0.0 111.178 176.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -44.17 77.65 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.938 0.895 . . . . 0.0 112.735 177.103 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -50.34 -36.8 33.73 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.963 0.801 . . . . 0.0 113.119 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -60.71 -57.82 11.1 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.652 1.114 . . . . 0.0 111.635 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 24.6 m -65.29 -34.39 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 118.529 0.604 . . . . 0.0 112.572 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 30.0 t -62.08 -50.19 81.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.808 1.243 . . . . 0.0 110.157 175.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -62.77 -28.64 70.12 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.788 0.835 . . . . 0.0 112.061 176.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 10.0 t60 -69.1 -65.72 0.67 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.678 0.791 . . . . 0.0 110.419 175.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 13.6 t -53.63 -35.08 60.56 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -175.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -73.53 -14.76 61.27 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 178.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -125.1 -9.68 5.03 Favored Glycine 0 CA--C 1.537 1.457 0 N-CA-C 116.479 1.351 . . . . 0.0 116.479 -177.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 47.6 t -58.59 144.24 43.56 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.218 1.407 . . . . 0.0 112.499 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 98.5 mttt -102.31 -4.5 25.52 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.508 1.923 . . . . 0.0 112.878 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -103.7 -58.73 1.83 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.446 1.898 . . . . 0.0 110.319 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 45.5 mtpt 54.54 177.37 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 128.522 2.729 . . . . 0.0 114.911 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 75.4 p -57.99 -37.41 74.19 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 120.667 -1.271 . . . . 0.0 113.453 -178.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -64.58 -24.29 67.55 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.226 1.011 . . . . 0.0 113.162 177.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -96.57 -21.31 22.13 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.916 1.246 . . . . 0.0 113.227 176.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 114.67 13.22 9.67 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 125.736 1.636 . . . . 0.0 115.798 179.035 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 20.7 t -60.38 120.89 55.87 Favored Pre-proline 0 CA--C 1.551 1.011 0 CA-C-N 119.254 1.527 . . . . 0.0 112.14 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -67.34 -39.95 11.87 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 123.041 2.494 . . . . 0.0 113.708 -178.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 61.5 t -58.0 -56.76 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.531 1.059 . . . . 0.0 110.725 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 56.2 m -53.52 -45.12 69.64 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.792 1.237 . . . . 0.0 110.53 177.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -41.85 78.22 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 118.466 -0.778 . . . . 0.0 112.473 177.158 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -61.4 -41.38 97.04 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.338 0.972 . . . . 0.0 111.372 178.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 6.1 mt -65.88 -53.33 41.01 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 122.927 0.491 . . . . 0.0 111.408 175.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 27.0 mm -58.05 -37.74 63.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 123.382 0.673 . . . . 0.0 112.26 -179.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -55.4 -49.6 71.95 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.59 1.087 . . . . 0.0 111.73 176.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 5.2 mp -68.16 -37.22 80.77 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.921 0.888 . . . . 0.0 111.579 177.01 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 76.2 m -60.5 -40.11 90.16 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.039 0.836 . . . . 0.0 110.656 174.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 84.7 m -64.89 -49.26 71.14 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.028 0.931 . . . . 0.0 111.333 176.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 38.5 t80 -60.12 -38.37 82.84 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.944 -0.473 . . . . 0.0 111.701 177.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 41.1 t60 -62.45 -58.41 7.73 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.107 0.963 . . . . 0.0 109.94 174.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -53.63 -30.47 43.0 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.69 1.596 . . . . 0.0 114.76 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -57.48 -47.23 82.43 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.468 1.507 . . . . 0.0 110.995 177.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 46.6 m80 -90.04 -27.45 19.71 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.603 1.961 . . . . 0.0 114.666 -178.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1834 ' ' CYS . . . . . 0.466 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 9.4 t -64.52 150.5 46.59 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.792 1.237 . . . . 0.0 113.567 -177.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -137.47 -3.78 1.89 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.372 1.869 . . . . 0.0 114.208 -178.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -75.72 113.39 13.13 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.738 -1.226 . . . . 0.0 111.613 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 36.1 t30 -60.35 -15.22 23.67 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -178.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -130.59 30.64 4.66 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 127.016 2.126 . . . . 0.0 113.279 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 33.3 t -48.82 134.68 14.12 Favored Pre-proline 0 CA--C 1.559 1.306 0 C-N-CA 126.172 1.789 . . . . 0.0 112.976 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -66.14 -21.9 54.97 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 123.587 2.858 . . . . 0.0 115.522 -177.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 75.9 t -65.16 116.61 31.87 Favored Pre-proline 0 N--CA 1.477 0.878 0 C-N-CA 124.553 1.141 . . . . 0.0 109.698 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -49.32 -50.46 12.89 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 124.114 3.209 . . . . 0.0 116.193 -176.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -78.55 -27.16 45.84 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -176.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 52.0 t -42.67 -67.65 0.25 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.456 1.902 . . . . 0.0 113.051 -177.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 63.3 mt -53.33 -35.75 60.53 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.481 1.512 . . . . 0.0 113.946 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -66.09 -48.96 69.21 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.514 0.597 . . . . 0.0 110.061 175.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 11.9 mm -58.17 -46.36 88.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 123.134 0.574 . . . . 0.0 110.669 176.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1848 ' ' LYS . . . . . 0.466 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 68.1 mttt -51.45 -44.54 62.41 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.347 0.976 . . . . 0.0 112.082 177.131 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 60.8 t60 -63.59 -51.98 62.98 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.434 0.694 . . . . 0.0 110.724 176.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 10.4 mptt -51.57 -41.22 61.0 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.181 1.393 . . . . 0.0 111.707 176.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 3.0 mp -60.18 -22.21 62.65 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.368 1.867 . . . . 0.0 115.145 177.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? . . . . . 0 N--CA 1.479 1.02 0 C-N-CA 124.915 1.286 . . . . 0.0 111.579 175.192 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 CA--C 1.541 0.622 0 CA-C-O 121.101 0.477 . . . . 0.0 111.42 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -152.57 135.56 9.4 Favored Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 125.873 1.669 . . . . 0.0 109.833 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -65.7 -15.24 48.44 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 122.756 2.304 . . . . 0.0 115.342 -177.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -96.95 -12.96 22.72 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.784 1.234 . . . . 0.0 113.603 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.09 -31.56 67.23 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -172.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -65.42 -42.8 92.12 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.606 1.162 . . . . 0.0 110.931 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.55 -25.12 65.65 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.344 1.058 . . . . 0.0 113.188 177.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 22.3 t -82.29 -47.4 19.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.399 1.08 . . . . 0.0 110.173 175.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 53.2 m -53.27 -37.82 62.5 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.687 1.595 . . . . 0.0 114.321 -176.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -67.6 -24.53 65.5 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 16.8 mt -90.04 -55.7 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 127.165 2.186 . . . . 0.0 110.443 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -150.36 98.78 3.25 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 127.603 2.361 . . . . 0.0 111.64 177.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -76.92 172.28 16.47 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 122.915 2.41 . . . . 0.0 111.498 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -71.52 -20.26 62.07 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 120.952 -1.093 . . . . 0.0 113.527 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 18.8 t -74.43 -47.8 31.5 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.385 1.474 . . . . 0.0 114.489 -178.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.5 m -140.24 158.59 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 124.677 1.191 . . . . 0.0 114.02 -176.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 58.8 tpp -78.4 62.51 3.05 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.394 1.478 . . . . 0.0 110.851 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 41.7 tp -56.64 -25.21 52.75 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 120.785 -1.197 . . . . 0.0 112.635 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.52 -21.2 24.54 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.972 1.309 . . . . 0.0 113.898 175.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 2.7 p -73.69 -16.38 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 119.286 0.948 . . . . 0.0 112.846 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -123.6 -19.58 5.78 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.304 1.442 . . . . 0.0 113.872 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -71.16 155.94 40.16 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.839 1.256 . . . . 0.0 111.997 177.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -142.01 90.51 0.18 Allowed Glycine 0 CA--C 1.529 0.92 0 C-N-CA 126.525 2.012 . . . . 0.0 109.879 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.33 133.09 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.422 1.489 . . . . 0.0 112.846 -176.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -59.14 8.46 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 130.12 3.368 . . . . 0.0 117.663 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 59.7 tp . . . . . 0 CA--C 1.551 0.988 0 C-N-CA 125.506 1.522 . . . . 0.0 114.382 179.339 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.693 0.282 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 8.7 mp -66.72 -38.66 87.16 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.05 1.34 . . . . 0.0 111.656 177.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 72.1 m -69.24 -38.37 78.45 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.183 -0.948 . . . . 0.0 112.473 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 45.4 mt -57.79 -60.23 2.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 124.434 1.094 . . . . 0.0 109.429 176.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -59.05 -35.1 72.76 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -64.15 -53.6 46.89 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.893 0.877 . . . . 0.0 110.275 174.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 34.5 t -58.58 -31.85 68.41 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.475 0.71 . . . . 0.0 111.843 176.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 50.8 mt -64.49 -29.89 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 O-C-N 120.451 -1.406 . . . . 0.0 111.691 174.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -62.59 -43.54 98.57 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.369 1.441 . . . . 0.0 109.56 174.149 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 4.0 m -60.75 -43.9 97.39 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.989 1.715 . . . . 0.0 110.502 175.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.14 -59.27 5.34 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.126 1.771 . . . . 0.0 110.618 176.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 96.9 t -54.92 -48.16 75.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.211 1.004 . . . . 0.0 111.17 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 27.3 t60 -55.0 -59.85 4.18 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.464 0.706 . . . . 0.0 110.482 176.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.49 -28.98 63.9 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -178.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 60.9 m -73.14 -17.67 61.36 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 176.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -119.88 -14.56 8.94 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.869 1.268 . . . . 0.0 114.392 179.012 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 13.0 t -51.23 117.17 2.41 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.698 1.999 . . . . 0.0 112.21 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 66.3 mmt-85 -71.04 -5.71 33.43 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.989 1.716 . . . . 0.0 114.705 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 38.8 t30 -128.81 109.05 10.95 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.734 1.614 . . . . 0.0 112.243 -178.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.17 -13.66 8.06 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 177.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 15.9 m120 -109.3 10.24 25.66 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.195 1.798 . . . . 0.0 113.983 -178.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 49.4 t -44.05 114.59 0.69 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.179 2.192 . . . . 0.0 111.607 178.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 2.2 m -73.23 1.55 9.13 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 116.372 1.989 . . . . 0.0 116.372 -173.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 17.4 tp -62.37 126.86 88.9 Favored Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 124.802 1.241 . . . . 0.0 108.802 177.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -57.8 -34.29 98.04 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.325 2.017 . . . . 0.0 114.432 -174.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 8.3 p -66.29 -53.25 38.82 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.792 0.837 . . . . 0.0 111.031 174.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 9.8 t -56.13 -49.95 72.47 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.618 1.567 . . . . 0.0 110.869 178.031 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -46.94 -58.44 3.95 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.973 1.709 . . . . 0.0 111.298 175.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -63.48 -40.72 97.84 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 3.3 tpt -59.57 -41.59 90.54 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.353 0.524 . . . . 0.0 111.958 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 6.1 mptp? -54.81 -35.73 64.21 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.944 0.897 . . . . 0.0 112.598 177.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -60.78 -56.44 21.17 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.867 1.212 . . . . 0.0 111.356 176.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 16.2 m -63.85 -37.87 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 118.713 0.688 . . . . 0.0 112.442 178.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 41.4 t -60.99 -50.62 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.373 1.069 . . . . 0.0 110.692 176.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -62.83 -30.22 71.33 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.059 0.944 . . . . 0.0 112.099 176.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 5.8 t60 -68.21 -65.7 0.66 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.814 0.846 . . . . 0.0 110.356 176.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 13.4 t -53.66 -34.57 59.09 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -176.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -74.05 -10.11 59.3 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -143.22 6.86 2.03 Favored Glycine 0 CA--C 1.538 1.527 0 N-CA-C 117.415 1.726 . . . . 0.0 117.415 -176.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 41.1 t -55.81 146.76 20.72 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 119.355 1.577 . . . . 0.0 113.221 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -66.19 -23.0 66.37 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.531 1.932 . . . . 0.0 113.305 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -134.1 -30.33 1.2 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 -178.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 61.2 mtpt 55.6 -174.33 0.05 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.05 1.74 . . . . 0.0 113.883 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 9.9 p -55.99 -44.05 78.22 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.523 -1.36 . . . . 0.0 112.573 177.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -61.32 -22.0 64.49 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.403 1.081 . . . . 0.0 113.515 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -101.91 -6.25 49.39 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.82 1.676 . . . . 0.0 113.61 176.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 101.48 12.62 35.09 Favored Glycine 0 CA--C 1.537 1.446 0 N-CA-C 117.385 1.714 . . . . 0.0 117.385 176.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 14.6 t -62.71 120.41 59.8 Favored Pre-proline 0 CA--C 1.553 1.072 0 CA-C-N 120.17 1.985 . . . . 0.0 113.355 -178.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -66.44 -35.61 29.91 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.095 2.53 . . . . 0.0 114.057 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 58.6 t -62.68 -52.4 60.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 119.722 1.147 . . . . 0.0 110.199 178.345 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 58.3 m -55.78 -50.74 69.63 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.731 1.213 . . . . 0.0 110.097 176.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1821 ' ' LYS . . . . . 0.423 ' O ' ' HE2' ' A' 1821 ' ' LYS . 0.0 OUTLIER -53.27 -45.14 68.73 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.024 0.93 . . . . 0.0 110.903 176.868 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.62 -47.81 83.12 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.358 0.663 . . . . 0.0 112.206 177.028 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.58 -45.47 93.99 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.318 0.963 . . . . 0.0 111.048 176.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 26.9 mm -63.23 -33.98 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 123.691 0.797 . . . . 0.0 112.094 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -60.82 -39.65 89.83 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 120.413 1.46 . . . . 0.0 110.371 175.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.99 -44.71 79.68 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.865 0.866 . . . . 0.0 111.03 174.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 77.5 m -58.78 -35.94 73.62 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.7 0.8 . . . . 0.0 110.776 175.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 88.8 m -63.29 -52.61 61.26 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.962 0.905 . . . . 0.0 110.617 175.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 29.6 t80 -56.5 -42.96 79.21 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.339 0.972 . . . . 0.0 111.299 176.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 53.0 t60 -58.6 -61.58 2.49 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.07 0.548 . . . . 0.0 110.234 176.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -55.67 -32.17 63.01 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.464 1.506 . . . . 0.0 114.397 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -56.63 -48.0 78.48 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.979 1.712 . . . . 0.0 111.008 177.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 44.2 m80 -90.09 -21.22 22.4 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.412 1.885 . . . . 0.0 114.958 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1834 ' ' CYS . . . . . 0.438 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 6.8 t -65.37 165.01 12.55 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.854 1.261 . . . . 0.0 113.836 -178.071 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -153.18 -3.17 0.21 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.279 1.832 . . . . 0.0 115.111 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -73.13 128.71 36.26 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 120.778 -1.202 . . . . 0.0 112.029 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 36.3 t30 -67.83 -21.99 65.18 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -178.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -137.17 47.95 2.09 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.914 2.085 . . . . 0.0 111.722 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 11.9 t -54.99 135.41 67.18 Favored Pre-proline 0 CA--C 1.558 1.269 0 C-N-CA 125.584 1.553 . . . . 0.0 112.044 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -65.32 -19.49 61.9 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 123.478 2.785 . . . . 0.0 115.231 -177.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 81.2 t -72.02 116.56 49.75 Favored Pre-proline 0 N--CA 1.475 0.789 0 C-N-CA 124.823 1.249 . . . . 0.0 110.172 178.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -51.3 -47.71 24.67 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.953 3.102 . . . . 0.0 115.539 -178.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -76.88 -23.99 52.6 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 114.916 1.45 . . . . 0.0 114.916 -177.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 53.7 t -48.17 -67.11 0.3 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.36 1.464 . . . . 0.0 112.575 -177.14 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 1.3 mp -53.09 -38.95 63.01 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.095 1.358 . . . . 0.0 113.467 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -61.17 -50.1 74.52 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.59 0.756 . . . . 0.0 110.222 175.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 9.8 mm -59.78 -45.92 94.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 118.841 -0.599 . . . . 0.0 110.776 175.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1848 ' ' LYS . . . . . 0.438 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 66.1 mttt -50.97 -45.6 60.91 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 119.795 1.18 . . . . 0.0 111.055 176.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 57.2 t60 -62.32 -47.51 83.93 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.384 0.674 . . . . 0.0 111.143 175.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -54.33 -39.61 67.22 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.742 0.817 . . . . 0.0 112.026 177.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.16 -33.33 75.76 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.065 1.746 . . . . 0.0 113.775 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? . . . . . 0 N--CA 1.481 1.087 0 CA-C-N 119.563 1.074 . . . . 0.0 113.418 179.503 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 CA--C 1.544 0.715 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -145.89 130.06 8.68 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 124.95 1.3 . . . . 0.0 109.926 176.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -63.34 -19.17 67.68 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 122.685 2.257 . . . . 0.0 115.289 -175.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -82.12 -16.0 51.42 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.452 -0.78 . . . . 0.0 112.86 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -60.52 -30.28 69.64 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.619 1.1 . . . . 0.0 113.951 -176.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -64.17 -45.69 87.3 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.419 1.088 . . . . 0.0 111.019 177.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.44 -48.41 70.07 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.868 1.267 . . . . 0.0 110.893 176.032 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 74.0 t -52.86 -45.97 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.049 0.94 . . . . 0.0 110.065 176.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 71.1 m -58.86 -29.28 66.85 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -75.5 -20.74 58.55 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 120.647 1.567 . . . . 0.0 112.585 176.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 5.7 mt -90.19 -53.23 9.45 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 C-N-CA 125.458 1.503 . . . . 0.0 110.092 176.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -149.26 93.09 4.17 Favored Pre-proline 0 CA--C 1.558 1.285 0 C-N-CA 127.244 2.218 . . . . 0.0 111.87 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -75.74 171.24 18.56 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 124.283 3.322 . . . . 0.0 113.783 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -67.51 -19.56 65.32 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 23.1 p -75.49 -51.51 12.82 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.566 1.547 . . . . 0.0 113.247 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 35.1 m -144.47 157.27 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 125.737 1.615 . . . . 0.0 113.19 -177.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 8.1 tpt -74.38 52.75 0.49 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.966 2.106 . . . . 0.0 111.984 175.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 28.0 tp -45.68 -28.46 1.01 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 127.797 2.439 . . . . 0.0 115.603 -174.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.56 -16.75 17.01 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.529 1.132 . . . . 0.0 113.817 175.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 4.1 p -73.38 -14.72 16.78 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 C-N-CA 124.555 1.142 . . . . 0.0 112.343 174.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -131.86 -30.14 1.63 Allowed 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.23 169.16 18.82 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 120.231 1.378 . . . . 0.0 112.213 177.379 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.95 114.82 1.18 Allowed Glycine 0 CA--C 1.53 1.002 0 C-N-CA 124.1 0.857 . . . . 0.0 113.946 -177.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 67.1 mt -66.02 112.92 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 125.107 1.363 . . . . 0.0 109.512 176.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -76.29 67.23 2.51 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.802 1.241 . . . . 0.0 110.568 176.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 59.5 tp . . . . . 0 N--CA 1.474 0.736 0 C-N-CA 127.284 2.234 . . . . 0.0 113.285 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 53.9 m . . . . . 0 CA--C 1.543 0.694 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -67.01 -16.03 48.43 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 123.369 2.713 . . . . 0.0 114.083 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -72.9 -19.83 61.2 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.13 1.772 . . . . 0.0 112.59 177.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -53.19 -56.86 13.06 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.176 1.39 . . . . 0.0 113.091 -177.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 67.1 p -55.06 -43.25 73.66 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.86 0.864 . . . . 0.0 113.33 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.5 -47.53 63.56 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.721 0.808 . . . . 0.0 111.222 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -58.5 -40.42 82.76 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.876 1.271 . . . . 0.0 111.695 176.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 6.5 mp -66.23 -43.42 86.65 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.514 1.126 . . . . 0.0 110.828 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 60.0 m -61.54 -43.0 99.65 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.491 -0.755 . . . . 0.0 111.136 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 52.6 mt -56.64 -61.59 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 124.784 1.233 . . . . 0.0 110.437 175.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -61.54 -34.01 74.81 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -178.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 71.5 mmt-85 -63.37 -49.9 72.02 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.081 0.855 . . . . 0.0 110.459 175.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 17.8 t -62.63 -31.97 72.92 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.287 0.635 . . . . 0.0 111.864 176.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 48.9 mt -64.66 -27.64 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 120.564 -1.335 . . . . 0.0 112.052 175.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -66.25 -40.02 89.91 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 120.456 -1.403 . . . . 0.0 109.363 173.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 3.3 m -63.16 -39.89 95.97 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.773 1.629 . . . . 0.0 110.951 175.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 54.9 tp -57.36 -57.75 11.28 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.271 1.428 . . . . 0.0 109.694 174.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 98.6 t -54.58 -51.42 50.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-O 118.36 -0.828 . . . . 0.0 110.439 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 18.2 t60 -51.29 -61.88 1.96 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.032 0.933 . . . . 0.0 111.033 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.45 -25.95 60.45 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -178.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 69.5 m -80.55 -14.8 57.92 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.236 1.015 . . . . 0.0 113.702 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -120.04 -12.45 9.12 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.201 1.4 . . . . 0.0 114.689 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 19.8 t -54.52 120.38 6.57 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 127.353 2.261 . . . . 0.0 111.913 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -68.69 -7.72 35.99 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.98 2.112 . . . . 0.0 116.384 -176.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 33.6 t30 -140.19 115.23 9.72 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.88 1.272 . . . . 0.0 112.464 -177.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -58.82 -17.26 22.05 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -95.19 6.94 47.66 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 126.68 1.992 . . . . 0.0 114.269 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 46.8 t -44.23 125.34 4.48 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.814 2.046 . . . . 0.0 113.152 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 38.7 m -79.77 -5.23 54.92 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -176.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.04 116.34 23.95 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 126.31 1.844 . . . . 0.0 108.506 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -47.35 -41.94 28.16 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.655 2.904 . . . . 0.0 115.356 -175.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 19.9 m -66.92 -42.78 84.78 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.394 0.677 . . . . 0.0 112.013 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 32.6 t -61.85 -50.98 70.08 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.474 1.51 . . . . 0.0 109.359 176.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -50.25 -50.22 50.7 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.546 1.138 . . . . 0.0 112.164 176.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 81.5 mttt -63.5 -46.44 86.11 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.286 1.034 . . . . 0.0 111.365 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 3.1 tpt -59.33 -41.18 88.55 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.232 1.013 . . . . 0.0 112.768 177.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -50.38 -39.66 47.35 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.23 1.412 . . . . 0.0 112.81 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -59.57 -58.19 9.67 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.255 0.934 . . . . 0.0 111.948 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 17.2 m -63.4 -36.77 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 118.437 0.562 . . . . 0.0 112.443 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 44.6 t -61.64 -50.67 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.24 1.016 . . . . 0.0 110.298 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -62.99 -30.32 71.5 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.211 1.004 . . . . 0.0 112.217 176.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 7.9 t60 -68.19 -66.4 0.57 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.926 0.891 . . . . 0.0 110.131 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 6.6 t -55.32 -34.05 63.84 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.873 1.435 . . . . 0.0 114.873 -175.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -71.07 -16.17 62.57 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -122.23 -12.88 5.06 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.119 1.342 . . . . 0.0 115.993 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 38.6 t -58.0 115.82 3.12 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.537 1.535 . . . . 0.0 111.992 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -71.34 -8.37 53.28 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.365 1.466 . . . . 0.0 113.324 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -106.89 -60.97 1.6 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.897 2.079 . . . . 0.0 111.13 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1812 ' ' LYS . . . . . . . . . . . . 0.307 2.7 ptpp? 46.08 -166.39 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 128.441 2.696 . . . . 0.0 114.804 -175.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 40.1 p -56.35 -30.19 62.34 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 120.693 -1.254 . . . . 0.0 113.105 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -60.21 -40.3 89.62 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.04 1.336 . . . . 0.0 112.141 176.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -96.08 -5.3 59.61 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.465 1.507 . . . . 0.0 114.555 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 99.6 13.29 38.44 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.371 1.462 . . . . 0.0 116.552 178.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 33.3 t -58.34 121.49 52.58 Favored Pre-proline 0 CA--C 1.553 1.086 0 CA-C-N 119.423 1.612 . . . . 0.0 111.83 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -66.81 -39.2 15.35 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 123.026 2.484 . . . . 0.0 114.204 -178.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 78.8 t -56.11 -58.48 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 124.602 1.161 . . . . 0.0 111.267 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 32.4 m -52.73 -43.13 65.5 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.708 1.603 . . . . 0.0 111.168 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.84 -46.0 90.64 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.632 1.173 . . . . 0.0 111.292 176.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -58.76 -42.78 89.72 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.294 0.952 . . . . 0.0 111.336 178.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -51.97 61.72 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.383 0.611 . . . . 0.0 111.053 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 53.0 mt -61.92 -30.54 48.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 125.138 1.375 . . . . 0.0 112.514 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.49 90.5 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.012 1.278 . . . . 0.0 111.227 175.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 6.0 mp -70.24 -39.21 75.17 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.338 1.055 . . . . 0.0 111.047 175.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 85.9 m -59.62 -38.3 80.95 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.416 0.553 . . . . 0.0 110.534 173.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 49.2 t -64.8 -51.93 59.56 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.903 1.281 . . . . 0.0 110.935 176.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 35.5 t80 -54.95 -44.96 74.81 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.167 0.587 . . . . 0.0 111.046 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 58.1 t60 -58.14 -60.72 3.3 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.796 0.839 . . . . 0.0 110.414 175.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -55.2 -33.57 63.16 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.533 1.533 . . . . 0.0 114.844 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -56.03 -44.17 78.5 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.821 1.648 . . . . 0.0 110.851 177.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -90.22 -27.63 19.39 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.75 1.62 . . . . 0.0 114.842 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 12.3 t -66.24 165.17 14.37 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.178 1.391 . . . . 0.0 112.994 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -153.16 -3.17 0.21 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.74 2.016 . . . . 0.0 114.783 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -71.85 113.47 8.91 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 120.771 -1.206 . . . . 0.0 111.098 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 31.7 t30 -61.24 -14.04 23.07 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -131.88 28.71 4.5 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.888 2.075 . . . . 0.0 113.534 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 7.8 t -48.73 136.4 13.26 Favored Pre-proline 0 CA--C 1.557 1.236 0 C-N-CA 126.549 1.939 . . . . 0.0 112.1 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -63.51 -23.64 70.75 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 123.41 2.74 . . . . 0.0 114.825 -177.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 95.3 t -69.94 121.81 84.02 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 124.622 1.169 . . . . 0.0 108.963 176.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -64.48 -43.62 13.32 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.718 2.279 . . . . 0.0 114.203 -175.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -70.62 -29.94 66.46 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 40.5 t -46.7 -65.62 0.53 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.6 1.56 . . . . 0.0 111.747 -178.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 58.3 mt -53.03 -38.28 62.27 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.142 1.377 . . . . 0.0 113.617 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -63.57 -51.61 64.64 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.52 0.6 . . . . 0.0 109.73 176.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 11.3 mm -58.15 -46.27 88.46 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-O 118.863 -0.589 . . . . 0.0 110.88 177.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -51.25 -44.66 61.8 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 119.742 1.155 . . . . 0.0 111.771 176.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 53.8 t60 -68.4 -36.51 79.22 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.931 0.892 . . . . 0.0 112.837 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -68.54 -41.28 80.08 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.506 1.523 . . . . 0.0 111.475 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 20.5 mt -56.05 -40.31 73.32 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.288 1.435 . . . . 0.0 111.886 176.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -62.13 -27.2 68.77 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 176.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -75.06 -21.3 59.08 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.453 0.701 . . . . 0.0 112.41 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -78.26 -21.36 49.98 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.825 1.25 . . . . 0.0 113.083 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 . . . . . 0 C--O 1.24 0.585 0 C-N-CA 124.773 1.229 . . . . 0.0 112.048 179.552 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 42.6 m . . . . . 0 CA--C 1.54 0.565 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -68.27 -16.25 63.89 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.641 1.576 . . . . 0.0 114.316 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 3.5 ppp? -145.96 166.56 25.67 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.532 1.933 . . . . 0.0 111.751 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.08 123.4 89.53 Favored Pre-proline 0 CA--C 1.55 0.97 0 C-N-CA 124.131 0.972 . . . . 0.0 111.235 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -66.36 -66.39 0.04 OUTLIER 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.377 2.718 . . . . 0.0 113.045 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -163.71 174.75 11.27 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.389 2.276 . . . . 0.0 110.441 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -145.55 117.74 5.17 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 125.131 1.372 . . . . 0.0 109.365 176.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -49.1 -32.24 23.53 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.716 2.944 . . . . 0.0 115.978 -178.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -73.62 -16.24 61.24 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.535 1.134 . . . . 0.0 113.035 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -60.03 -25.82 65.61 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 120.119 1.327 . . . . 0.0 113.641 -177.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -68.16 -32.55 72.89 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.557 1.143 . . . . 0.0 111.438 176.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.92 -29.11 55.54 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.42 1.088 . . . . 0.0 111.696 175.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 29.8 t -76.92 -49.97 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.261 1.025 . . . . 0.0 110.484 177.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 51.0 m -52.64 -41.49 63.81 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.091 1.756 . . . . 0.0 114.718 -176.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -66.65 -20.98 66.11 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ILE . . . . . 0.431 HG21 HD11 ' B' ' 78' ' ' ILE . 10.4 mt -90.26 -55.05 6.66 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 C-N-CA 126.027 1.731 . . . . 0.0 110.043 175.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 16.1 p90 -150.7 100.06 3.12 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 127.93 2.492 . . . . 0.0 111.787 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -78.37 176.57 9.77 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 123.311 2.674 . . . . 0.0 112.154 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -67.02 -29.77 69.68 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.287 -0.883 . . . . 0.0 112.889 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 20.4 m -72.66 -46.53 53.42 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.821 1.785 . . . . 0.0 115.821 -176.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 35.0 m -143.77 162.05 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 124.657 1.183 . . . . 0.0 113.87 -175.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 48.6 tpp -80.5 64.5 5.32 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.922 1.289 . . . . 0.0 110.669 175.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 50.4 tp -56.45 -24.83 48.11 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.839 1.255 . . . . 0.0 113.068 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.04 -18.87 38.69 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.439 1.096 . . . . 0.0 113.55 175.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 2.6 p -72.5 -16.15 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.183 0.902 . . . . 0.0 112.617 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -125.16 -22.79 4.32 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.306 1.442 . . . . 0.0 114.101 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -72.19 155.72 39.93 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.304 1.042 . . . . 0.0 111.994 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -138.73 92.83 0.2 Allowed Glycine 0 CA--C 1.532 1.133 0 C-N-CA 125.813 1.673 . . . . 0.0 112.114 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ILE . . . . . 0.431 HD11 HG21 ' B' ' 65' ' ' ILE . 74.0 mt -62.07 119.6 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.292 1.437 . . . . 0.0 110.239 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -80.19 64.84 5.14 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.184 1.394 . . . . 0.0 111.974 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 67.2 tp -49.07 -25.92 2.36 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.392 1.877 . . . . 0.0 114.279 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 54.9 mt -56.58 -16.37 6.0 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.573 1.949 . . . . 0.0 113.376 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.1 t -64.14 -12.77 42.97 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.94 2.096 . . . . 0.0 114.358 176.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -60.84 158.61 31.85 Favored Pre-proline 0 CA--C 1.555 1.171 0 C-N-CA 124.667 1.187 . . . . 0.0 112.379 178.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -69.13 137.6 37.7 Favored 'Trans proline' 0 CA--C 1.546 1.119 0 C-N-CA 122.596 2.197 . . . . 0.0 112.775 -177.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -75.08 174.75 12.26 Favored 'Trans proline' 0 CA--C 1.543 0.939 0 C-N-CA 123.594 2.862 . . . . 0.0 112.903 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.31 157.44 63.77 Favored Pre-proline 0 CA--C 1.554 1.123 0 C-N-CA 124.997 1.319 . . . . 0.0 112.246 177.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -67.86 -14.5 41.63 Favored 'Trans proline' 0 CA--C 1.544 1.021 0 C-N-CA 123.263 2.642 . . . . 0.0 114.211 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -170.61 154.8 23.67 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 126.093 1.806 . . . . 0.0 112.034 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 75.4 m -144.54 160.91 46.3 Favored Pre-proline 0 N--CA 1.477 0.885 0 C-N-CA 125.927 1.691 . . . . 0.0 111.536 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.53 -35.98 98.74 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.741 2.961 . . . . 0.0 115.162 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 . . . . . 0 N--CA 1.478 0.942 0 C-N-CA 127.576 2.35 . . . . 0.0 113.972 -178.833 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 17.9 t . . . . . 0 CA--C 1.539 0.547 0 CA-C-O 119.197 -0.43 . . . . 0.0 112.084 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -66.29 -34.31 36.01 Favored 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 122.687 2.258 . . . . 0.0 111.465 177.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -64.35 -46.02 85.25 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.171 0.989 . . . . 0.0 110.443 176.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -61.14 -51.29 69.71 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.581 0.752 . . . . 0.0 110.196 176.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 23.0 t -53.2 -48.28 68.21 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.567 1.147 . . . . 0.0 111.871 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 36.3 ttp-105 -60.25 -49.88 75.88 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.3 1.44 . . . . 0.0 111.677 176.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -59.58 -41.87 91.22 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.178 0.991 . . . . 0.0 112.158 178.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.48 -42.31 92.37 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.755 1.222 . . . . 0.0 110.71 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 75.0 m -59.81 -47.93 83.73 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.922 0.889 . . . . 0.0 111.225 177.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 49.9 mt -55.51 -60.69 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 125.383 1.473 . . . . 0.0 110.531 177.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -61.42 -36.02 79.17 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.066 1.135 . . . . 0.0 114.066 -178.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -60.8 -55.66 30.43 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.333 1.053 . . . . 0.0 110.146 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 27.3 t -56.09 -38.5 70.79 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 122.984 0.514 . . . . 0.0 111.668 176.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 46.4 mt -60.57 -30.9 47.67 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 C-N-CA 123.911 0.884 . . . . 0.0 112.333 175.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -63.36 -45.9 89.03 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 120.717 1.599 . . . . 0.0 110.223 174.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 22.6 m -61.32 -39.36 90.21 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.808 1.243 . . . . 0.0 111.357 176.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.62 -52.65 63.5 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.214 1.406 . . . . 0.0 110.755 176.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 86.4 t -56.8 -49.55 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-O 118.705 -0.664 . . . . 0.0 109.968 176.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 30.3 t60 -52.53 -57.1 11.01 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.764 0.825 . . . . 0.0 110.535 176.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -55.5 -31.41 62.02 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 87.2 m -76.14 -14.48 60.17 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -120.04 -12.87 9.06 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 8.8 t -61.75 107.3 0.8 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.113 1.765 . . . . 0.0 112.261 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -3.2 20.98 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 -177.392 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 31.6 t30 -136.4 109.31 7.62 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.611 1.096 . . . . 0.0 112.084 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -57.85 -16.25 11.13 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -88.56 3.53 50.03 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.906 1.683 . . . . 0.0 113.543 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 49.7 t -46.71 124.68 6.33 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.018 2.127 . . . . 0.0 111.542 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 16.4 m -74.79 -2.65 27.58 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 116.395 1.998 . . . . 0.0 116.395 -174.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 12.5 tp -64.96 132.08 95.38 Favored Pre-proline 0 CA--C 1.546 0.789 0 CA-C-N 120.805 1.639 . . . . 0.0 109.294 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -63.51 -35.9 57.41 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 121.959 1.773 . . . . 0.0 113.159 -176.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 16.5 p -72.2 -44.04 63.58 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.803 1.241 . . . . 0.0 113.144 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 43.7 t -57.2 -44.31 83.54 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.481 1.512 . . . . 0.0 113.172 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -61.81 -52.32 64.68 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.587 1.555 . . . . 0.0 110.83 -177.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1798 ' ' LYS . . . . . 0.453 ' HE3' ' HA ' ' B' ' 68' ' ' ASP . 3.3 tppt? -62.4 -50.97 69.41 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.179 1.392 . . . . 0.0 110.655 175.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 63.0 tpp -52.72 -42.73 65.14 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.385 1.074 . . . . 0.0 111.666 177.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -51.95 -42.72 63.07 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.489 1.116 . . . . 0.0 112.983 176.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -60.32 -43.28 96.54 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 119.66 1.118 . . . . 0.0 111.496 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 1.7 t -68.22 -44.16 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.053 0.941 . . . . 0.0 110.962 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 55.4 t -59.09 -44.06 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.757 1.223 . . . . 0.0 110.294 176.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -66.59 -25.96 66.87 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.972 1.309 . . . . 0.0 112.669 176.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 7.3 t60 -69.91 -66.63 0.57 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.897 0.879 . . . . 0.0 109.779 176.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 6.0 t -55.7 -36.35 67.07 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -174.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -66.4 -14.03 61.54 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -134.87 3.39 4.16 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 125.067 1.318 . . . . 0.0 116.093 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 49.7 t -57.81 130.04 44.64 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.031 1.416 . . . . 0.0 112.804 -178.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 99.2 mttt -72.81 -8.17 54.2 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.71 1.604 . . . . 0.0 112.998 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -118.71 -56.28 2.13 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.515 1.926 . . . . 0.0 111.719 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 33.6 tttt 54.05 -174.17 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 127.439 2.295 . . . . 0.0 113.54 -177.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 40.0 p -58.56 -30.1 66.89 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 120.514 -1.366 . . . . 0.0 112.807 177.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -59.5 -40.09 85.93 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.923 1.289 . . . . 0.0 112.02 176.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -93.06 -6.44 63.24 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.096 1.331 . . . . 0.0 114.116 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 97.69 15.16 38.04 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.647 1.594 . . . . 0.0 116.219 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 20.6 t -56.97 119.49 30.96 Favored Pre-proline 0 CA--C 1.552 1.046 0 CA-C-N 119.432 1.616 . . . . 0.0 111.91 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -65.53 -38.82 23.76 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.008 2.472 . . . . 0.0 113.998 -177.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 59.2 t -55.94 -58.02 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-N 119.642 1.11 . . . . 0.0 110.231 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 37.4 m -53.05 -46.17 68.41 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.884 1.674 . . . . 0.0 110.742 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.65 -43.46 72.36 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.868 0.867 . . . . 0.0 112.067 177.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -60.41 -42.97 97.1 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.437 1.017 . . . . 0.0 111.566 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 8.1 mt -66.59 -53.33 35.53 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.037 0.535 . . . . 0.0 111.488 176.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 34.4 mm -57.73 -35.1 49.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 123.998 0.919 . . . . 0.0 112.084 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -58.36 -52.16 66.76 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 119.503 1.047 . . . . 0.0 111.341 175.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 4.6 mp -68.01 -36.26 79.67 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.725 0.81 . . . . 0.0 111.848 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 84.7 m -60.27 -42.31 95.13 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.173 0.897 . . . . 0.0 110.352 172.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 49.0 t -63.92 -49.39 72.8 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.682 1.193 . . . . 0.0 111.141 177.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 29.1 t80 -57.11 -44.81 83.61 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.954 -0.466 . . . . 0.0 111.355 176.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 45.6 t60 -57.97 -57.19 13.9 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.095 0.958 . . . . 0.0 110.336 175.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -54.47 -30.01 51.75 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.565 1.546 . . . . 0.0 114.574 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -55.35 -50.79 68.76 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.713 1.605 . . . . 0.0 110.889 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -90.15 -25.91 20.44 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.651 1.58 . . . . 0.0 114.73 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1834 ' ' CYS . . . . . 0.448 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 9.6 t -62.21 144.1 55.94 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.001 0.92 . . . . 0.0 113.156 -177.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -132.29 -1.36 3.59 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.531 1.933 . . . . 0.0 113.787 -176.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -77.01 115.24 16.63 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.7 -1.25 . . . . 0.0 111.273 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -59.7 -21.9 61.25 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -178.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -127.22 32.85 4.99 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.449 1.9 . . . . 0.0 113.545 -177.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 19.3 t -49.27 135.06 16.52 Favored Pre-proline 0 CA--C 1.56 1.336 0 C-N-CA 126.198 1.799 . . . . 0.0 112.589 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -65.08 -21.72 62.72 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 123.589 2.859 . . . . 0.0 115.564 -176.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 93.6 t -69.43 114.47 24.36 Favored Pre-proline 0 N--CA 1.476 0.862 0 C-N-CA 124.782 1.233 . . . . 0.0 109.396 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -52.46 -44.09 49.63 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 123.611 2.874 . . . . 0.0 115.267 -177.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -78.32 -24.91 46.4 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 -177.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 42.6 t -49.83 -67.56 0.25 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.31 1.444 . . . . 0.0 111.843 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 73.9 mt -51.36 -40.02 58.3 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.344 1.858 . . . . 0.0 113.249 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -63.04 -49.51 74.31 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.003 0.921 . . . . 0.0 110.504 176.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 7.5 mm -58.83 -44.71 91.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-O 118.553 -0.737 . . . . 0.0 110.73 174.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1848 ' ' LYS . . . . . 0.448 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 65.0 mttt -52.7 -44.84 66.58 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 120.018 1.281 . . . . 0.0 111.389 176.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 46.7 t60 -60.23 -51.08 71.07 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 122.846 0.458 . . . . 0.0 110.605 175.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -53.44 -45.43 69.47 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.143 0.977 . . . . 0.0 111.724 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 5.1 mp -57.61 -47.2 82.83 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.831 1.652 . . . . 0.0 111.841 176.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -71.71 -23.32 61.62 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.225 1.01 . . . . 0.0 113.661 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -80.89 -7.61 59.52 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.033 1.733 . . . . 0.0 113.642 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -61.84 158.66 15.42 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.504 1.122 . . . . 0.0 112.903 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 15.2 mm100 . . . . . 0 N--CA 1.474 0.731 0 C-N-CA 127.129 2.172 . . . . 0.0 113.649 179.297 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 43.7 m . . . . . 0 CA--C 1.54 0.588 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -143.95 168.15 20.67 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.982 1.713 . . . . 0.0 112.801 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -78.13 179.45 6.84 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.426 1.49 . . . . 0.0 112.527 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.63 144.18 80.31 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 124.339 1.056 . . . . 0.0 112.082 177.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -75.17 -96.4 0.01 OUTLIER 'Trans proline' 0 CA--C 1.546 1.077 0 C-N-CA 123.679 2.919 . . . . 0.0 111.178 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -162.66 169.03 20.75 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.88 1.672 . . . . 0.0 111.708 177.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -157.65 117.61 1.95 Allowed Pre-proline 0 CA--C 1.543 0.693 0 C-N-CA 126.301 1.84 . . . . 0.0 109.183 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -48.33 -32.93 21.07 Favored 'Trans proline' 0 CA--C 1.537 0.645 0 C-N-CA 123.544 2.829 . . . . 0.0 115.847 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -70.66 -20.06 62.74 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.174 0.989 . . . . 0.0 113.175 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -61.15 -28.01 68.8 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.278 0.945 . . . . 0.0 112.409 -177.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -61.37 -37.66 84.18 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.36 1.464 . . . . 0.0 111.074 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.01 -32.41 24.94 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.926 1.29 . . . . 0.0 112.764 177.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 79.1 t -67.84 -46.04 83.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.219 1.008 . . . . 0.0 110.35 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 32.0 t -46.95 -51.04 17.93 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.9 2.08 . . . . 0.0 114.654 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -64.15 -22.3 66.88 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ILE . . . . . 0.405 HG21 HD11 ' B' ' 78' ' ' ILE . 17.3 mt -90.08 -54.59 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.704 1.602 . . . . 0.0 109.978 178.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -153.61 99.32 2.62 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 128.395 2.678 . . . . 0.0 111.474 178.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -80.3 167.44 19.48 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 123.166 2.577 . . . . 0.0 111.765 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' ASP . . . . . 0.453 ' HA ' ' HE3' ' A' 1798 ' ' LYS . 36.5 t70 -60.77 -20.09 60.68 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 178.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 59.6 p -87.27 -19.26 28.54 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 p -156.39 150.69 9.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 120.512 1.506 . . . . 0.0 114.515 -177.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.65 33.01 0.08 Allowed 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 127.263 2.225 . . . . 0.0 112.94 173.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 51.7 tp -40.17 -24.63 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 127.471 2.309 . . . . 0.0 116.131 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.85 -28.7 16.78 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.653 1.181 . . . . 0.0 112.987 173.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.92 -14.76 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.593 1.157 . . . . 0.0 113.159 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -114.24 -30.33 6.65 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.13 1.772 . . . . 0.0 112.927 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -66.44 163.71 17.84 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.421 1.888 . . . . 0.0 113.824 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.74 82.25 0.16 Allowed Glycine 0 CA--C 1.533 1.175 0 C-N-CA 125.947 1.737 . . . . 0.0 111.889 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' ILE . . . . . 0.405 HD11 HG21 ' B' ' 65' ' ' ILE . 80.2 mt -55.6 127.74 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.883 1.673 . . . . 0.0 111.528 -179.273 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -75.06 65.63 1.51 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.843 1.657 . . . . 0.0 113.589 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 65.5 tp -79.81 -24.64 41.25 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 121.127 -0.983 . . . . 0.0 112.082 175.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.525 HD12 ' H ' ' B' ' 81' ' ' LEU . 1.0 OUTLIER -52.31 -34.09 45.28 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 127.563 2.345 . . . . 0.0 114.014 -176.418 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.1 t -76.47 -5.01 45.61 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.791 1.636 . . . . 0.0 114.541 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -104.42 154.6 38.25 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 125.627 1.571 . . . . 0.0 112.093 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -72.92 156.86 52.15 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 122.935 2.423 . . . . 0.0 112.63 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -76.89 -11.4 18.14 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 123.743 2.962 . . . . 0.0 114.408 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -140.61 158.3 66.11 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 126.229 1.812 . . . . 0.0 111.627 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -81.3 -8.77 12.78 Favored 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 123.279 2.653 . . . . 0.0 114.192 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -75.42 -4.13 73.47 Favored Glycine 0 CA--C 1.536 1.399 0 N-CA-C 117.096 1.598 . . . . 0.0 117.096 -176.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 56.1 m -58.5 118.6 29.36 Favored Pre-proline 0 CA--C 1.546 0.806 0 CA-C-N 119.313 1.556 . . . . 0.0 111.956 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -74.48 -14.94 22.37 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 123.204 2.603 . . . . 0.0 114.622 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 . . . . . 0 N--CA 1.471 0.611 0 C-N-CA 125.366 1.466 . . . . 0.0 111.871 -179.871 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 68.6 m . . . . . 0 CA--C 1.54 0.581 0 CA-C-O 119.328 -0.368 . . . . 0.0 111.938 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -50.04 -35.98 43.25 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 124.102 3.202 . . . . 0.0 114.332 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -58.0 -25.59 61.27 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.964 1.306 . . . . 0.0 113.669 177.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -67.34 -59.87 3.05 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.443 -0.786 . . . . 0.0 109.134 175.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 43.9 m -54.28 -41.92 69.44 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.767 1.227 . . . . 0.0 112.126 177.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -57.69 -34.44 69.44 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.479 1.912 . . . . 0.0 113.029 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -88.25 -34.79 17.62 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.671 1.589 . . . . 0.0 111.873 176.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.55 -34.97 79.1 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.948 1.299 . . . . 0.0 112.638 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 79.3 p -63.63 -44.19 94.61 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.098 0.863 . . . . 0.0 111.368 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 73.5 mt -54.81 -63.72 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 125.862 1.665 . . . . 0.0 110.332 176.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -59.44 -36.12 75.32 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -66.41 -51.29 58.48 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 118.987 0.812 . . . . 0.0 110.778 175.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 28.5 t -57.12 -36.87 71.19 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.341 0.656 . . . . 0.0 111.373 176.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 42.3 mt -59.51 -30.11 43.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 121.032 -1.043 . . . . 0.0 112.426 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -62.84 -47.63 82.56 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 120.455 1.48 . . . . 0.0 109.947 174.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 22.0 m -58.81 -41.19 86.21 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.343 1.457 . . . . 0.0 111.243 174.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 5.3 tt -59.42 -52.58 65.01 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.223 1.809 . . . . 0.0 110.45 177.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 83.9 t -56.74 -49.61 77.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.948 0.899 . . . . 0.0 110.416 176.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 22.3 t60 -52.01 -56.87 11.62 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.918 0.781 . . . . 0.0 110.724 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -55.96 -30.15 61.28 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 89.5 m -78.51 -14.13 59.5 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 177.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -119.46 -11.37 9.5 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.603 1.335 . . . . 0.0 114.603 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 8.2 t -59.49 123.73 17.78 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.67 1.588 . . . . 0.0 112.601 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -76.85 -5.87 50.12 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.718 2.007 . . . . 0.0 115.794 -177.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 37.8 t30 -135.9 112.72 10.21 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.031 1.332 . . . . 0.0 112.457 -177.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -58.69 -16.31 15.82 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.69 1.366 . . . . 0.0 114.69 178.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -92.52 0.23 57.41 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.989 1.716 . . . . 0.0 114.432 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 49.1 t -44.93 110.72 0.25 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.906 2.082 . . . . 0.0 112.904 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 99.3 p -72.38 -0.96 13.79 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 -175.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 19.2 tp -61.36 124.43 80.7 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 125.257 1.423 . . . . 0.0 110.467 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -47.55 -42.24 29.25 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 123.498 2.798 . . . . 0.0 114.287 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 33.7 m -58.0 -53.06 62.45 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.574 1.55 . . . . 0.0 112.005 176.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 4.3 t -63.09 -51.52 66.26 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.16 1.784 . . . . 0.0 110.578 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -48.27 -56.33 8.29 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.193 1.797 . . . . 0.0 112.179 176.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 82.3 mttt -60.2 -44.03 95.45 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.213 1.005 . . . . 0.0 111.736 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 14.6 mmt -62.25 -43.47 98.75 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 176.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -47.48 -40.76 19.16 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.368 1.067 . . . . 0.0 112.485 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -61.76 -58.88 6.3 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.179 0.992 . . . . 0.0 111.923 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 19.4 m -63.31 -39.02 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 118.728 0.695 . . . . 0.0 112.598 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 46.2 t -59.22 -49.61 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.826 1.25 . . . . 0.0 110.458 175.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -62.01 -31.68 72.08 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.927 0.891 . . . . 0.0 112.208 176.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.7 t60 -68.96 -63.63 1.02 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.611 0.764 . . . . 0.0 110.82 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 13.0 t -54.79 -31.02 58.4 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 114.673 1.361 . . . . 0.0 114.673 -176.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -77.61 -11.59 59.88 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -134.27 -1.94 3.45 Favored Glycine 0 CA--C 1.538 1.522 0 N-CA-C 117.095 1.598 . . . . 0.0 117.095 -176.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 43.4 t -55.34 136.97 48.76 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.396 1.598 . . . . 0.0 112.331 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -72.24 -11.67 60.82 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.654 1.581 . . . . 0.0 114.136 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -135.21 -32.23 0.95 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 27.6 mtpp 53.61 -168.14 0.06 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.115 1.766 . . . . 0.0 113.611 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 20.2 p -57.96 -32.27 67.69 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.728 1.211 . . . . 0.0 112.145 175.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -58.26 -42.51 86.62 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.1 1.36 . . . . 0.0 111.809 176.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -88.24 -3.44 78.88 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 125.46 1.505 . . . . 0.0 113.955 176.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 93.01 17.91 41.97 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.729 1.633 . . . . 0.0 116.71 176.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 8.1 t -58.84 116.68 16.39 Favored Pre-proline 0 CA--C 1.552 1.026 0 CA-C-N 119.758 1.779 . . . . 0.0 112.744 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -57.45 -42.81 57.51 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 123.207 2.605 . . . . 0.0 113.795 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 59.5 t -55.16 -59.02 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.842 1.257 . . . . 0.0 110.694 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 21.3 m -52.71 -48.72 66.44 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.555 1.542 . . . . 0.0 110.138 177.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1821 ' ' LYS . . . . . 0.409 ' O ' ' HE2' ' A' 1821 ' ' LYS . 0.0 OUTLIER -53.96 -46.36 71.59 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.345 1.058 . . . . 0.0 111.699 177.317 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -60.97 -42.16 97.8 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.322 0.964 . . . . 0.0 111.97 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.62 -50.01 66.61 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.561 0.619 . . . . 0.0 111.072 177.295 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 41.1 mm -61.18 -32.39 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 124.564 1.146 . . . . 0.0 112.0 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -57.25 -48.17 79.54 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 120.015 1.279 . . . . 0.0 111.239 175.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 6.7 mp -68.66 -39.61 80.57 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.186 0.994 . . . . 0.0 111.207 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 73.4 m -59.69 -38.05 80.5 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 118.877 0.762 . . . . 0.0 110.642 173.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 24.3 t -66.52 -50.67 62.42 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.952 1.301 . . . . 0.0 111.216 176.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 44.5 t80 -55.81 -46.36 78.07 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.258 0.623 . . . . 0.0 110.621 175.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 43.6 t60 -56.74 -63.83 1.07 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.426 1.09 . . . . 0.0 110.05 175.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -50.14 -42.15 50.2 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.762 1.625 . . . . 0.0 114.564 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -56.52 -45.68 80.97 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.509 1.924 . . . . 0.0 111.589 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -90.1 -17.79 27.06 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1834 ' ' CYS . . . . . 0.455 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 11.4 t -68.83 165.1 20.47 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.061 1.745 . . . . 0.0 112.863 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.05 -4.25 0.42 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.005 1.722 . . . . 0.0 115.109 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -74.64 120.0 19.59 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 120.825 -1.172 . . . . 0.0 111.554 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -62.16 -23.51 66.64 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -127.12 33.99 4.81 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 126.686 1.995 . . . . 0.0 113.305 -177.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 10.4 t -49.71 134.35 19.93 Favored Pre-proline 0 CA--C 1.559 1.315 0 C-N-CA 126.135 1.774 . . . . 0.0 112.541 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -65.86 -22.34 56.44 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 123.625 2.883 . . . . 0.0 115.62 -176.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 82.0 t -66.85 115.53 25.9 Favored Pre-proline 0 N--CA 1.477 0.875 0 C-N-CA 124.534 1.133 . . . . 0.0 109.566 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -51.42 -46.42 31.62 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.747 2.965 . . . . 0.0 115.289 -177.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -76.12 -28.51 57.49 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 114.633 1.345 . . . . 0.0 114.633 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 42.4 t -45.84 -67.77 0.25 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.87 1.668 . . . . 0.0 112.3 -177.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 59.6 mt -54.39 -35.59 63.01 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.337 1.455 . . . . 0.0 113.489 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -64.56 -51.12 64.42 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.683 0.674 . . . . 0.0 110.004 175.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 10.0 mm -56.87 -45.82 83.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.754 176.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1848 ' ' LYS . . . . . 0.455 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 67.9 mttt -53.14 -45.46 68.41 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 120.164 1.347 . . . . 0.0 111.657 176.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 56.5 t60 -61.96 -49.87 74.39 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.281 0.633 . . . . 0.0 110.8 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -54.96 -41.23 70.87 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.084 1.354 . . . . 0.0 111.661 176.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.7 mp -63.94 -43.1 96.89 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.659 1.584 . . . . 0.0 111.606 175.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -28.97 67.71 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.528 1.131 . . . . 0.0 113.184 176.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -64.14 -19.59 65.39 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.505 1.048 . . . . 0.0 112.705 176.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -72.19 -15.3 61.95 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.997 1.319 . . . . 0.0 112.698 175.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 11.9 pt20 . . . . . 0 C--O 1.239 0.505 0 C-N-CA 126.919 2.088 . . . . 0.0 111.552 -177.276 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 40.4 m . . . . . 0 CA--C 1.54 0.572 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -144.84 161.05 40.25 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.344 1.858 . . . . 0.0 111.315 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 95.9 mmm -66.34 144.77 56.36 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.492 1.117 . . . . 0.0 110.932 176.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.58 138.37 95.54 Favored Pre-proline 0 CA--C 1.552 1.041 0 C-N-CA 123.737 0.815 . . . . 0.0 112.152 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -72.2 -66.72 0.03 OUTLIER 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 123.495 2.797 . . . . 0.0 112.783 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -162.31 176.14 10.87 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 127.793 2.437 . . . . 0.0 110.608 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -145.9 121.19 5.61 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 125.586 1.555 . . . . 0.0 109.392 177.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -50.6 -30.62 28.93 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 123.539 2.826 . . . . 0.0 115.966 -178.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -77.26 -16.45 59.0 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.549 1.14 . . . . 0.0 113.626 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -59.31 -32.74 70.34 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -175.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -62.0 -33.07 73.65 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.565 1.146 . . . . 0.0 111.659 178.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.69 -22.82 53.41 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.269 1.028 . . . . 0.0 112.421 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 12.2 t -80.64 -48.65 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 123.891 0.876 . . . . 0.0 109.754 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 65.6 m -49.74 -45.37 49.28 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.18 1.792 . . . . 0.0 114.619 -178.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -64.87 -23.64 67.29 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ILE . . . . . 0.442 HG21 HD11 ' B' ' 78' ' ' ILE . 10.2 mt -90.14 -55.65 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 126.266 1.826 . . . . 0.0 110.617 176.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -151.09 101.15 3.01 Favored Pre-proline 0 CA--C 1.549 0.916 0 C-N-CA 127.983 2.513 . . . . 0.0 111.392 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -74.52 174.03 13.3 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 122.811 2.34 . . . . 0.0 111.665 177.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -73.32 -18.75 61.16 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 120.923 -1.111 . . . . 0.0 113.154 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 26.9 p -74.57 -51.56 14.27 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.412 1.885 . . . . 0.0 113.876 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 29.0 m -138.71 154.71 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.668 1.587 . . . . 0.0 112.399 -178.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 67.8 mtp -83.08 66.59 8.75 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.492 -0.755 . . . . 0.0 111.257 176.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 32.5 tp -52.16 -22.08 3.92 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.493 1.917 . . . . 0.0 113.363 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.82 -23.27 17.48 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.049 1.34 . . . . 0.0 113.133 174.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 4.6 p -67.92 -17.46 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.481 1.112 . . . . 0.0 112.911 176.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -126.69 -16.96 5.12 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.326 1.45 . . . . 0.0 114.426 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -71.48 160.03 33.45 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.971 1.308 . . . . 0.0 112.413 177.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -144.97 87.14 0.17 Allowed Glycine 0 CA--C 1.534 1.242 0 C-N-CA 125.692 1.615 . . . . 0.0 112.14 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' ILE . . . . . 0.442 HD11 HG21 ' B' ' 65' ' ' ILE . 85.4 mt -60.81 125.68 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.895 1.678 . . . . 0.0 111.293 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -81.35 65.8 6.63 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.123 1.369 . . . . 0.0 111.913 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 64.6 tp -51.68 -25.48 7.31 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.283 1.833 . . . . 0.0 114.043 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 42.9 mt -56.79 -17.4 9.04 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 127.419 2.287 . . . . 0.0 113.897 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.6 t -67.55 -6.11 18.42 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.893 2.077 . . . . 0.0 115.34 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -60.57 159.55 23.93 Favored Pre-proline 0 CA--C 1.557 1.221 0 C-N-CA 125.198 1.399 . . . . 0.0 112.916 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -71.25 159.47 51.82 Favored 'Trans proline' 0 CA--C 1.546 1.094 0 C-N-CA 122.968 2.445 . . . . 0.0 113.144 -177.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -66.61 -26.98 45.97 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 123.015 2.476 . . . . 0.0 113.996 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -153.15 145.92 17.48 Favored Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 125.365 1.466 . . . . 0.0 111.407 177.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -79.86 -11.89 13.65 Favored 'Trans proline' 0 CA--C 1.546 1.088 0 C-N-CA 123.689 2.926 . . . . 0.0 113.916 178.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -74.64 88.69 0.74 Allowed Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.956 1.741 . . . . 0.0 114.624 -177.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 38.5 t -140.2 125.42 11.36 Favored Pre-proline 0 CA--C 1.541 0.626 0 C-N-CA 125.605 1.562 . . . . 0.0 111.076 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -76.25 -12.66 19.09 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 123.3 2.667 . . . . 0.0 113.562 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 . . . . . 0 C--O 1.239 0.522 0 C-N-CA 125.22 1.408 . . . . 0.0 111.765 -179.197 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 68.6 m . . . . . 0 CA--C 1.542 0.647 0 CA-C-O 119.173 -0.441 . . . . 0.0 111.991 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -62.19 -42.75 27.22 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.594 2.196 . . . . 0.0 112.399 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -60.53 -35.56 76.29 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.78 -0.575 . . . . 0.0 111.836 177.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -65.62 -50.76 63.87 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.417 0.687 . . . . 0.0 110.38 175.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 56.3 m -55.82 -40.56 72.94 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.561 0.744 . . . . 0.0 111.885 176.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -65.32 -45.09 85.68 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.289 1.436 . . . . 0.0 111.174 176.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -60.69 -42.3 96.87 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.424 1.49 . . . . 0.0 111.241 176.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.75 -42.72 94.94 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.364 1.466 . . . . 0.0 110.631 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 73.8 m -59.17 -52.75 64.37 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.659 0.663 . . . . 0.0 110.433 176.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 40.8 mt -52.31 -58.43 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 125.232 1.413 . . . . 0.0 111.289 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -62.23 -40.41 96.04 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -178.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 84.5 mmt-85 -58.75 -45.52 89.55 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 119.831 1.196 . . . . 0.0 111.215 176.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 62.1 m -62.9 -33.15 74.7 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.685 -0.635 . . . . 0.0 111.383 175.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 54.6 mt -69.89 -35.4 64.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.325 1.05 . . . . 0.0 111.82 175.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -59.42 -44.94 92.78 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.461 1.482 . . . . 0.0 109.553 172.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 31.3 t -60.33 -44.85 95.11 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.048 0.939 . . . . 0.0 111.428 174.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 58.1 tp -55.27 -53.43 56.24 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.187 1.395 . . . . 0.0 111.105 177.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 86.4 t -56.08 -51.14 65.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.694 178.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 32.1 t60 -52.43 -57.75 8.88 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.85 0.75 . . . . 0.0 110.929 177.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -56.3 -31.08 63.34 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 87.1 m -77.33 -13.39 59.94 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 177.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -119.34 -14.5 9.2 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 9.2 t -61.76 114.68 3.45 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.856 1.662 . . . . 0.0 112.056 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -70.79 -6.27 36.47 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.75 2.02 . . . . 0.0 116.094 -177.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 32.4 t30 -136.12 111.96 9.5 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.476 1.111 . . . . 0.0 112.402 -177.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.35 -15.56 17.16 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 177.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -92.15 6.97 44.58 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.307 1.843 . . . . 0.0 113.681 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 52.9 t -45.2 129.52 7.88 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.868 2.067 . . . . 0.0 112.147 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 15.7 m -68.41 -8.65 42.35 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 116.213 1.931 . . . . 0.0 116.213 -174.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 13.3 tp -74.53 128.04 86.4 Favored Pre-proline 0 CA--C 1.549 0.92 0 CA-C-N 120.132 1.333 . . . . 0.0 112.035 -177.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -54.24 -43.83 54.98 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.702 2.268 . . . . 0.0 113.023 177.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 16.1 m -61.63 -48.54 80.42 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.065 1.346 . . . . 0.0 112.021 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 34.7 t -56.73 -54.23 48.67 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.154 1.382 . . . . 0.0 109.765 177.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -50.83 -55.09 18.56 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.243 1.417 . . . . 0.0 111.988 176.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -56.38 -49.7 73.69 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.698 1.199 . . . . 0.0 112.15 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 49.3 tpp -61.28 -43.94 98.05 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.669 1.188 . . . . 0.0 112.64 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -50.77 -44.53 58.73 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.442 1.497 . . . . 0.0 113.032 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.58 -47.42 79.58 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.673 0.789 . . . . 0.0 111.732 177.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 1.8 t -69.0 -41.26 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 123.704 0.802 . . . . 0.0 111.676 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 40.8 t -57.01 -47.52 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.795 0.838 . . . . 0.0 109.429 174.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -67.4 -27.87 67.44 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.454 0.702 . . . . 0.0 112.811 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.8 t60 -65.51 -64.69 0.8 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.035 0.834 . . . . 0.0 109.028 173.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 12.2 t -56.75 -31.78 64.92 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -178.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -60.46 -27.2 67.35 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.036 1.734 . . . . 0.0 113.883 176.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -130.53 -1.95 5.03 Favored Glycine 0 CA--C 1.538 1.525 0 N-CA-C 117.453 1.741 . . . . 0.0 117.453 -177.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 49.9 t -55.45 128.14 32.93 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.633 1.716 . . . . 0.0 113.263 -178.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 23.2 tptm -71.87 -16.55 62.14 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.151 1.78 . . . . 0.0 112.708 178.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 58.2 ttm-85 -108.69 -57.26 2.16 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.994 1.718 . . . . 0.0 112.92 -178.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1812 ' ' LYS . . . . . . . . . . . . 0.28 19.0 ptmt 49.07 -170.47 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 128.199 2.6 . . . . 0.0 114.777 -175.185 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 10.4 p -53.62 -39.63 65.08 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.956 1.302 . . . . 0.0 112.622 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 30.0 t30 -54.82 -34.34 62.67 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.592 1.557 . . . . 0.0 112.99 176.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -104.19 6.65 46.88 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 126.139 1.828 . . . . 0.0 114.296 178.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 84.54 16.03 67.13 Favored Glycine 0 CA--C 1.538 1.47 0 N-CA-C 116.866 1.506 . . . . 0.0 116.866 178.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 18.3 t -59.32 114.93 10.45 Favored Pre-proline 0 CA--C 1.555 1.154 0 CA-C-N 119.726 1.763 . . . . 0.0 112.128 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -58.81 -43.7 41.87 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.106 2.538 . . . . 0.0 113.867 -179.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 52.9 t -54.85 -57.24 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 124.515 1.126 . . . . 0.0 111.404 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 41.7 m -54.87 -48.79 72.51 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.322 1.449 . . . . 0.0 111.142 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.09 -50.21 71.66 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.091 1.356 . . . . 0.0 110.897 176.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -56.8 -44.85 82.33 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.28 1.032 . . . . 0.0 111.575 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.5 -53.07 61.23 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.156 0.889 . . . . 0.0 110.367 176.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 39.6 mt -58.09 -29.34 36.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 126.106 1.763 . . . . 0.0 113.105 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -55.35 -46.75 76.42 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 120.041 1.291 . . . . 0.0 111.791 176.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.53 -38.41 80.84 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.779 1.232 . . . . 0.0 110.804 176.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 68.0 m -59.71 -41.85 91.73 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.865 0.757 . . . . 0.0 111.016 174.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 94.6 m -63.12 -49.82 72.91 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.313 1.045 . . . . 0.0 111.363 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 40.1 t80 -58.96 -45.5 90.34 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.949 0.499 . . . . 0.0 111.12 176.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 39.5 t60 -56.34 -60.54 3.37 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.319 1.048 . . . . 0.0 110.535 176.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -52.21 -38.69 58.7 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.459 1.504 . . . . 0.0 114.677 -178.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -56.98 -44.32 82.55 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.43 1.492 . . . . 0.0 111.36 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -90.09 -20.32 23.3 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1834 ' ' CYS . . . . . 0.492 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 11.4 t -67.55 165.02 17.73 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.516 1.526 . . . . 0.0 113.319 -179.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -149.79 -5.2 0.36 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.119 1.768 . . . . 0.0 115.308 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -75.69 111.17 10.75 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 120.739 -1.225 . . . . 0.0 111.42 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -59.09 -11.35 3.51 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -134.04 28.64 3.8 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 127.168 2.187 . . . . 0.0 112.963 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 12.8 t -47.94 135.51 11.22 Favored Pre-proline 0 CA--C 1.559 1.313 0 C-N-CA 126.612 1.965 . . . . 0.0 113.109 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -65.59 -23.44 57.04 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 123.729 2.953 . . . . 0.0 115.651 -176.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 74.5 t -64.99 116.18 27.58 Favored Pre-proline 0 N--CA 1.476 0.87 0 C-N-CA 124.65 1.18 . . . . 0.0 109.954 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -48.48 -50.33 12.53 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 124.34 3.36 . . . . 0.0 116.164 -176.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -77.91 -24.65 48.27 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 47.1 t -43.33 -68.33 0.2 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.117 1.767 . . . . 0.0 113.168 -176.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 55.3 mt -54.39 -35.62 63.05 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.376 1.47 . . . . 0.0 113.816 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 49.2 t30 -64.25 -49.25 72.63 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.999 0.919 . . . . 0.0 110.126 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 15.0 mm -58.93 -48.66 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 O-C-N 121.751 -0.593 . . . . 0.0 110.582 175.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1848 ' ' LYS . . . . . 0.492 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 70.0 mttt -51.2 -47.79 62.17 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.201 0.909 . . . . 0.0 111.037 177.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 61.2 t60 -56.07 -51.87 66.3 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.507 0.723 . . . . 0.0 110.436 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -55.47 -43.74 75.78 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 118.811 0.732 . . . . 0.0 111.762 176.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 6.2 mp -60.67 -37.15 80.61 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.262 1.425 . . . . 0.0 112.229 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 42.8 mmt-85 -76.85 -30.09 56.16 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 119.486 1.039 . . . . 0.0 113.043 175.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -62.22 -21.49 65.18 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.115 0.966 . . . . 0.0 112.816 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -60.27 -24.89 65.29 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.83 1.652 . . . . 0.0 113.16 177.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 . . . . . 0 N--CA 1.472 0.674 0 C-N-CA 127.403 2.281 . . . . 0.0 113.85 177.753 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 78.2 p . . . . . 0 CA--C 1.542 0.643 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -142.94 159.13 42.83 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.233 1.813 . . . . 0.0 111.527 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 28.3 ptm -74.6 -1.34 21.16 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 116.901 2.186 . . . . 0.0 116.901 -178.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -153.54 151.46 25.41 Favored Pre-proline 0 CA--C 1.548 0.904 0 C-N-CA 125.979 1.712 . . . . 0.0 111.615 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -79.48 -112.92 0.01 OUTLIER 'Trans proline' 0 CA--C 1.549 1.232 0 C-N-CA 123.997 3.132 . . . . 0.0 109.645 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -152.18 167.7 27.69 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.13 1.372 . . . . 0.0 112.058 176.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -156.38 136.56 8.69 Favored Pre-proline 0 CA--C 1.544 0.732 0 C-N-CA 126.209 1.803 . . . . 0.0 110.475 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -64.43 -20.32 66.07 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 122.414 2.076 . . . . 0.0 114.912 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -79.59 -23.12 42.94 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.146 0.884 . . . . 0.0 113.129 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -60.74 -29.36 69.33 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -177.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.69 -45.72 92.8 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.335 1.054 . . . . 0.0 111.306 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.48 -45.75 68.25 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.598 0.759 . . . . 0.0 111.103 176.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 63.3 t -59.26 -40.94 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.67 0.788 . . . . 0.0 111.954 177.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 20.2 t -49.47 -48.78 47.49 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.157 1.783 . . . . 0.0 114.537 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -64.92 -19.6 66.02 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 12.1 mt -90.03 -57.76 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.482 1.513 . . . . 0.0 109.801 175.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.8 p90 -150.24 101.11 3.17 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 127.673 2.389 . . . . 0.0 111.842 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -77.37 173.78 13.76 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 122.656 2.237 . . . . 0.0 110.75 176.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -67.76 -24.82 65.39 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.497 -1.377 . . . . 0.0 113.413 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 23.0 m -69.92 -45.54 67.31 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 -177.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 27.1 m -146.39 159.93 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 125.063 1.345 . . . . 0.0 113.316 -176.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 57.7 tpp -80.18 63.29 4.63 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.627 1.171 . . . . 0.0 110.335 174.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 41.3 tp -53.04 -25.85 13.81 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.753 1.621 . . . . 0.0 113.649 -177.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.76 -22.54 24.69 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.274 1.429 . . . . 0.0 113.802 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.6 p -70.15 -19.4 22.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.621 1.168 . . . . 0.0 112.742 177.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -131.11 -4.27 3.92 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -176.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -129.24 141.26 51.18 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.292 1.437 . . . . 0.0 111.896 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -97.12 -179.63 34.16 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.624 1.583 . . . . 0.0 114.08 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 75.6 mt -117.43 149.13 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.41 1.484 . . . . 0.0 111.22 -178.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -61.45 0.65 0.28 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 128.823 2.849 . . . . 0.0 116.803 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 35.1 tp -55.39 -17.9 5.8 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.491 1.916 . . . . 0.0 114.365 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.12 -36.38 63.2 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.964 1.705 . . . . 0.0 114.349 -177.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.0 t -82.26 -1.26 48.84 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.917 1.287 . . . . 0.0 113.955 -177.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -108.25 157.91 35.12 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 126.584 1.953 . . . . 0.0 111.489 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -64.96 115.31 3.2 Favored 'Trans proline' 0 CA--C 1.548 1.179 0 C-N-CA 123.397 2.731 . . . . 0.0 112.13 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -80.09 173.82 12.2 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 123.49 2.794 . . . . 0.0 112.298 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -144.27 143.77 23.39 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 125.258 1.423 . . . . 0.0 110.961 176.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.12 -4.59 14.48 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 C-N-CA 123.859 3.039 . . . . 0.0 114.018 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -74.82 58.11 2.61 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 126.212 1.863 . . . . 0.0 116.098 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 62.6 m -65.08 152.36 91.54 Favored Pre-proline 0 N--CA 1.473 0.679 0 C-N-CA 125.019 1.327 . . . . 0.0 111.115 176.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.15 -20.68 18.77 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 122.096 1.864 . . . . 0.0 115.098 -176.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 N--CA 1.473 0.714 0 C-N-CA 125.184 1.393 . . . . 0.0 113.71 179.804 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 54.5 m . . . . . 0 CA--C 1.54 0.588 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -63.44 -31.08 72.4 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.618 2.212 . . . . 0.0 112.73 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -58.63 -36.76 74.58 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.834 0.854 . . . . 0.0 111.418 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.2 -51.98 57.61 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.745 0.818 . . . . 0.0 110.408 176.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 50.1 m -55.19 -43.16 74.11 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.012 0.925 . . . . 0.0 111.871 177.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -62.25 -53.07 60.41 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.361 1.464 . . . . 0.0 110.722 175.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 74.9 ttt-85 -54.73 -43.68 72.86 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.064 1.745 . . . . 0.0 112.059 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.9 mp -67.17 -46.49 73.81 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.79 1.236 . . . . 0.0 111.113 177.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 68.5 m -58.2 -46.55 85.62 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.827 0.74 . . . . 0.0 111.246 178.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 55.3 mt -55.67 -63.43 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 126.122 1.769 . . . . 0.0 110.545 177.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -61.3 -36.26 79.62 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -177.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -62.81 -53.4 54.82 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.061 0.944 . . . . 0.0 110.517 176.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 18.3 t -58.81 -33.81 70.8 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.227 0.611 . . . . 0.0 112.162 177.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 41.4 mt -64.45 -28.62 45.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 O-C-N 121.168 -0.957 . . . . 0.0 112.086 176.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -63.05 -46.37 87.8 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 120.353 1.433 . . . . 0.0 109.638 174.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 4.3 m -59.51 -40.8 88.26 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.944 1.698 . . . . 0.0 111.327 175.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 63.8 tp -59.28 -54.97 40.72 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.314 1.446 . . . . 0.0 110.529 176.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 94.8 t -55.03 -50.17 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 CA-C-O 118.566 -0.73 . . . . 0.0 110.429 177.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 33.9 t60 -53.32 -58.67 6.28 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.479 0.712 . . . . 0.0 111.285 177.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -56.33 -28.7 59.81 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 96.5 m -78.73 -13.0 60.05 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 177.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -119.99 -12.77 9.09 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.087 1.355 . . . . 0.0 114.29 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 11.6 t -65.04 122.36 16.85 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.628 1.571 . . . . 0.0 111.619 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -74.9 -8.97 58.04 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.329 1.852 . . . . 0.0 115.387 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 31.8 t30 -136.76 113.47 10.26 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.877 1.217 . . . . 0.0 113.131 -176.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.49 -15.41 17.54 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -93.0 8.6 39.21 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 126.44 1.896 . . . . 0.0 113.61 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 51.6 t -45.08 135.75 5.3 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 127.462 2.305 . . . . 0.0 112.686 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 84.7 p -74.24 -10.92 60.08 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -176.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 26.3 tp -72.38 120.77 82.33 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 124.575 1.15 . . . . 0.0 112.012 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.67 -39.7 75.48 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.898 2.399 . . . . 0.0 113.348 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 15.0 m -58.09 -47.6 82.7 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.272 1.429 . . . . 0.0 112.061 178.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 20.9 t -61.37 -54.17 47.17 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.161 1.784 . . . . 0.0 109.5 176.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -50.32 -55.09 17.04 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.498 1.519 . . . . 0.0 112.547 177.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 89.4 mttt -57.94 -49.46 76.69 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.915 0.886 . . . . 0.0 111.862 177.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 44.8 tpp -59.67 -38.37 81.29 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.97 0.908 . . . . 0.0 113.0 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -53.45 -31.11 43.98 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 118.035 -0.983 . . . . 0.0 113.441 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -59.21 -61.81 2.36 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.903 1.229 . . . . 0.0 111.676 177.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 26.7 m -63.83 -33.81 64.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 46.4 t -62.2 -48.65 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.957 0.903 . . . . 0.0 109.932 175.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 66.8 mm-40 -62.78 -30.05 71.17 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.686 1.194 . . . . 0.0 112.252 175.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 11.6 t60 -69.3 -66.05 0.63 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.57 0.748 . . . . 0.0 110.411 175.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 5.1 t -55.36 -33.74 63.68 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -174.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -70.54 -14.26 62.43 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 177.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -128.96 -8.65 3.68 Favored Glycine 0 CA--C 1.538 1.505 0 N-CA-C 116.499 1.36 . . . . 0.0 116.499 -178.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 40.6 t -57.57 138.71 54.95 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.516 1.526 . . . . 0.0 112.754 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -90.57 -6.73 54.32 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.025 1.73 . . . . 0.0 112.915 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -107.5 -53.9 2.56 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.64 1.576 . . . . 0.0 112.566 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 14.7 mmmm 58.14 179.92 0.06 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.719 2.008 . . . . 0.0 113.385 -178.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 19.6 p -59.63 -29.97 68.39 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 120.627 -1.295 . . . . 0.0 112.159 175.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -58.59 -39.24 79.83 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.063 1.345 . . . . 0.0 111.891 175.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -90.94 -5.24 68.38 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 125.267 1.413 . . . . 0.0 113.733 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 93.3 16.09 48.28 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 125.721 1.629 . . . . 0.0 115.756 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 14.0 t -55.5 113.84 6.28 Favored Pre-proline 0 CA--C 1.553 1.085 0 CA-C-N 119.246 1.523 . . . . 0.0 112.518 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -56.24 -44.54 45.56 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 123.235 2.623 . . . . 0.0 113.891 -178.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 58.8 t -55.56 -58.69 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.368 1.067 . . . . 0.0 111.133 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 39.4 m -53.66 -46.1 70.49 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.013 1.325 . . . . 0.0 110.557 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1821 ' ' LYS . . . . . 0.412 ' HE2' ' O ' ' A' 1821 ' ' LYS . 0.0 OUTLIER -54.61 -45.36 73.66 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.458 1.103 . . . . 0.0 111.675 177.131 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -60.4 -38.72 84.86 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.122 0.874 . . . . 0.0 111.967 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 4.4 mt -66.42 -51.45 56.84 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.862 -0.524 . . . . 0.0 110.721 174.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 23.1 mm -56.32 -37.03 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 123.71 0.804 . . . . 0.0 111.919 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -55.32 -51.63 66.12 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.414 1.006 . . . . 0.0 111.591 176.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 4.1 mp -69.51 -39.17 77.74 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.496 1.118 . . . . 0.0 111.854 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 73.4 m -59.51 -39.79 85.01 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.99 0.814 . . . . 0.0 110.603 174.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 35.1 t -65.74 -50.12 65.94 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.737 1.215 . . . . 0.0 111.123 176.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 37.1 t80 -57.38 -40.61 78.56 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.5 0.591 . . . . 0.0 111.398 176.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 54.2 t60 -61.63 -58.55 7.64 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.973 0.909 . . . . 0.0 110.097 174.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -54.42 -28.58 44.91 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.655 1.582 . . . . 0.0 114.618 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -56.97 -47.46 80.72 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.809 1.644 . . . . 0.0 110.932 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 51.5 m80 -90.11 -29.47 18.3 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.93 2.092 . . . . 0.0 114.34 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1834 ' ' CYS . . . . . 0.481 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 8.1 t -66.54 153.74 42.19 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.189 1.396 . . . . 0.0 113.632 -177.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.82 -2.97 0.8 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.565 1.946 . . . . 0.0 114.775 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -71.57 107.08 4.27 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.316 1.446 . . . . 0.0 111.302 178.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -53.68 -16.2 1.54 Allowed 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 116.811 2.152 . . . . 0.0 116.811 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 47.9 mttp -132.21 32.92 3.92 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.677 1.991 . . . . 0.0 112.857 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 32.5 t -49.56 136.34 17.96 Favored Pre-proline 0 CA--C 1.559 1.307 0 C-N-CA 126.463 1.905 . . . . 0.0 112.211 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -64.7 -24.99 61.64 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 123.366 2.711 . . . . 0.0 115.156 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 97.1 t -65.79 122.82 82.68 Favored Pre-proline 0 N--CA 1.474 0.771 0 CA-C-N 119.332 0.969 . . . . 0.0 109.099 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -64.55 -44.84 10.2 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.829 2.353 . . . . 0.0 114.397 -175.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -72.57 -31.06 64.94 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 47.5 t -43.35 -67.02 0.31 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.529 1.931 . . . . 0.0 112.215 -178.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 63.9 mt -52.99 -36.79 60.77 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.506 1.523 . . . . 0.0 113.896 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -65.44 -48.74 71.68 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.909 0.777 . . . . 0.0 110.17 175.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 11.5 mm -58.61 -46.23 90.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-O 119.163 -0.446 . . . . 0.0 110.284 176.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1848 ' ' LYS . . . . . 0.481 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 68.9 mttt -52.3 -45.56 65.59 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.442 1.019 . . . . 0.0 111.688 176.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 24.2 t60 -58.18 -49.03 78.46 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.881 0.764 . . . . 0.0 110.848 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 7.6 mptt -60.06 -27.9 67.34 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.222 1.809 . . . . 0.0 112.802 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.9 mp -85.45 -49.33 8.18 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.384 1.874 . . . . 0.0 113.434 177.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -66.65 -24.22 66.26 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.952 0.901 . . . . 0.0 113.228 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -74.84 -8.82 57.59 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -67.76 -17.67 64.62 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.567 1.147 . . . . 0.0 113.172 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 . . . . . 0 CA--C 1.541 0.598 0 C-N-CA 126.131 1.772 . . . . 0.0 112.254 179.654 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 77.9 p . . . . . 0 CA--C 1.541 0.616 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -68.41 166.62 16.35 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.432 1.493 . . . . 0.0 113.089 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 28.5 ptm -67.32 169.48 8.79 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.883 1.273 . . . . 0.0 113.39 178.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.1 154.43 82.28 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 123.921 0.888 . . . . 0.0 113.087 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -77.42 -179.75 5.73 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 124.236 3.291 . . . . 0.0 106.868 170.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -110.02 164.14 12.89 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 124.021 0.928 . . . . 0.0 111.207 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -158.5 138.96 9.1 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 124.641 1.176 . . . . 0.0 110.845 -178.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -73.3 -17.7 23.97 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.561 2.174 . . . . 0.0 114.779 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -79.96 -33.95 39.14 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -178.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -27.31 61.54 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -177.059 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -64.4 -43.09 95.52 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.036 1.334 . . . . 0.0 110.971 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.62 -42.48 86.73 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.772 0.829 . . . . 0.0 110.75 175.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 13.7 t -58.09 -44.3 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.313 0.645 . . . . 0.0 110.381 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.2 t -46.89 -49.52 20.19 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.616 1.966 . . . . 0.0 114.6 -178.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -72.75 -15.36 61.66 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 17.8 mt -90.28 -54.73 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.356 1.462 . . . . 0.0 109.486 175.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -154.51 101.11 2.4 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 128.756 2.822 . . . . 0.0 111.947 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -74.45 174.17 13.02 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 122.628 2.219 . . . . 0.0 112.653 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.17 -16.59 62.24 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 -175.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 48.9 m -123.12 0.84 9.12 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 115.632 1.715 . . . . 0.0 115.632 -177.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 9.3 t -140.81 130.33 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 119.734 1.152 . . . . 0.0 111.929 -178.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 52.0 tpp -78.93 51.51 1.14 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.74 1.216 . . . . 0.0 110.292 174.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 51.1 tp -52.1 -25.7 9.38 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 127.365 2.266 . . . . 0.0 113.823 -177.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.46 -18.02 16.28 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.951 1.301 . . . . 0.0 113.527 174.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.7 p -71.3 -17.78 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.491 1.116 . . . . 0.0 112.522 176.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -127.08 -29.78 2.75 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.65 1.58 . . . . 0.0 113.88 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -75.07 147.73 40.37 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.377 1.471 . . . . 0.0 111.21 177.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.65 105.94 0.62 Allowed Glycine 0 CA--C 1.53 1.03 0 C-N-CA 125.171 1.367 . . . . 0.0 112.469 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.63 123.8 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.194 1.398 . . . . 0.0 109.738 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -69.37 31.15 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 127.038 2.135 . . . . 0.0 116.136 -176.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 49.5 tp -56.86 -15.77 5.43 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 125.811 1.644 . . . . 0.0 114.805 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.491 HD12 ' H ' ' B' ' 81' ' ' LEU . 1.0 OUTLIER -60.15 -32.66 71.24 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.723 2.009 . . . . 0.0 113.765 -178.822 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.6 t -71.63 -15.93 62.26 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.341 1.456 . . . . 0.0 114.138 -177.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -80.82 161.89 62.02 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 125.175 1.39 . . . . 0.0 112.607 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.34 144.94 69.75 Favored 'Trans proline' 0 CA--C 1.546 1.11 0 C-N-CA 123.573 2.848 . . . . 0.0 114.162 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -76.2 167.77 25.25 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 123.578 2.852 . . . . 0.0 112.275 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.02 150.44 92.54 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 124.035 0.934 . . . . 0.0 111.632 177.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -65.72 -19.44 59.45 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 123.186 2.591 . . . . 0.0 115.056 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -90.82 4.06 81.53 Favored Glycine 0 CA--C 1.538 1.51 0 C-N-CA 125.076 1.322 . . . . 0.0 114.616 178.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 49.3 m -60.76 120.47 53.5 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 124.976 1.31 . . . . 0.0 112.02 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -74.5 -15.03 22.29 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.151 2.567 . . . . 0.0 114.191 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 . . . . . 0 N--CA 1.472 0.671 0 C-N-CA 125.653 1.581 . . . . 0.0 111.891 -179.887 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 4.5 t . . . . . 0 CA--C 1.541 0.631 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -66.57 -35.34 29.87 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.81 2.34 . . . . 0.0 111.498 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -70.58 -42.19 71.38 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.676 0.79 . . . . 0.0 110.552 176.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.29 -56.46 20.27 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.539 0.735 . . . . 0.0 111.264 177.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 51.3 p -57.12 -39.45 75.16 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -63.15 -47.47 82.57 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.828 1.251 . . . . 0.0 111.458 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -65.12 -32.58 74.35 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.047 1.339 . . . . 0.0 112.128 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 3.2 mp -65.52 -31.28 72.26 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.199 1.0 . . . . 0.0 111.971 176.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 74.8 m -65.02 -43.99 90.63 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.089 -1.007 . . . . 0.0 111.088 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 84.7 mt -55.34 -60.37 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.321 1.449 . . . . 0.0 111.092 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -60.06 -32.43 70.93 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 13.7 mmp_? -64.76 -51.4 62.46 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.148 0.885 . . . . 0.0 110.229 175.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 68.0 m -59.92 -29.24 68.24 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.174 0.589 . . . . 0.0 112.47 176.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 51.2 mt -67.69 -27.64 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 O-C-N 120.998 -1.064 . . . . 0.0 111.57 176.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -63.97 -43.09 96.8 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.882 1.219 . . . . 0.0 109.224 173.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 3.2 m -59.86 -44.3 94.2 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.708 1.603 . . . . 0.0 111.052 175.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 67.2 tp -58.21 -55.9 28.95 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.23 1.412 . . . . 0.0 110.842 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 86.8 t -54.84 -51.93 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-O 118.485 -0.769 . . . . 0.0 110.515 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 31.5 t60 -52.61 -59.03 4.96 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.6 0.76 . . . . 0.0 110.955 177.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -56.45 -28.58 59.96 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 87.2 m -78.59 -14.93 59.09 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -117.39 -15.73 10.31 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.015 1.326 . . . . 0.0 114.26 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 11.7 t -59.54 119.86 8.32 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.502 1.921 . . . . 0.0 111.655 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -77.58 -5.67 51.04 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.97 1.708 . . . . 0.0 115.412 -176.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 33.0 t30 -136.68 110.3 8.04 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.791 1.236 . . . . 0.0 112.357 -177.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -56.65 -17.57 9.21 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -87.51 -1.13 57.73 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.694 1.598 . . . . 0.0 114.026 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 48.6 t -46.02 111.57 0.38 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.997 2.119 . . . . 0.0 111.858 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 89.1 p -70.21 1.0 5.27 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 116.743 2.127 . . . . 0.0 116.743 -174.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 17.4 tp -62.35 123.11 77.25 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 125.029 1.331 . . . . 0.0 109.995 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -47.71 -41.23 31.22 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.739 2.959 . . . . 0.0 115.374 -177.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 12.0 p -68.21 -48.76 64.32 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.001 1.321 . . . . 0.0 112.401 177.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 11.6 t -58.02 -52.06 67.1 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.662 1.585 . . . . 0.0 110.027 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -46.7 -58.38 3.92 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.959 1.703 . . . . 0.0 111.735 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 91.4 mttt -59.78 -50.21 74.69 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.658 1.183 . . . . 0.0 112.107 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 51.0 tpp -60.69 -39.98 90.49 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.276 1.03 . . . . 0.0 113.359 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -52.44 -42.05 63.81 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.489 1.116 . . . . 0.0 113.131 178.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -58.56 -42.21 87.39 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.615 0.766 . . . . 0.0 111.508 177.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 1.4 t -69.84 -42.44 79.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.235 1.014 . . . . 0.0 111.514 178.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 71.5 t -59.24 -44.15 91.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.104 0.962 . . . . 0.0 109.973 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -65.65 -28.6 69.22 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.493 1.117 . . . . 0.0 112.685 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.5 t60 -71.73 -64.1 1.0 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.088 0.955 . . . . 0.0 110.22 176.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 11.1 t -52.92 -36.22 59.35 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 -176.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -70.26 -13.56 62.22 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -133.39 -1.97 3.78 Favored Glycine 0 CA--C 1.536 1.385 0 N-CA-C 116.496 1.358 . . . . 0.0 116.496 -177.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 45.2 t -56.31 127.0 28.76 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.155 1.477 . . . . 0.0 112.779 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -74.25 -6.37 47.48 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.759 1.624 . . . . 0.0 113.191 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -119.32 -55.17 2.16 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.602 1.961 . . . . 0.0 111.933 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1812 ' ' LYS . . . . . 0.427 ' HG2' ' H ' ' A' 1813 ' ' THR . 21.5 tttm 54.91 -175.31 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 127.653 2.381 . . . . 0.0 113.553 -177.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1813 ' ' THR . . . . . 0.427 ' H ' ' HG2' ' A' 1812 ' ' LYS . 69.4 p -57.59 -34.73 69.56 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 120.565 -1.334 . . . . 0.0 112.601 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -59.09 -40.58 85.7 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.34 1.456 . . . . 0.0 112.304 177.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -88.28 -6.72 74.1 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 124.857 1.218 . . . . 0.0 114.057 177.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 98.04 14.63 38.76 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.535 1.54 . . . . 0.0 116.156 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 23.1 t -56.24 119.86 30.74 Favored Pre-proline 0 CA--C 1.553 1.064 0 CA-C-N 119.495 1.647 . . . . 0.0 111.268 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -67.0 -37.63 18.61 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.562 2.174 . . . . 0.0 113.282 -176.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 72.4 t -58.01 -58.74 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.066 1.347 . . . . 0.0 110.432 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 57.5 m -53.68 -47.26 70.62 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.748 1.219 . . . . 0.0 110.577 177.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.38 -42.43 77.88 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.457 -0.777 . . . . 0.0 112.791 177.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -65.79 -38.17 88.28 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.154 0.888 . . . . 0.0 111.5 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.66 -52.31 61.27 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.63 -0.668 . . . . 0.0 110.069 176.032 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 31.1 mm -61.39 -32.83 54.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 124.21 1.004 . . . . 0.0 112.3 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -54.67 -43.42 72.42 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 120.358 1.436 . . . . 0.0 111.925 175.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 5.8 mp -72.0 -35.88 69.59 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.264 1.026 . . . . 0.0 111.324 175.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 84.8 m -60.66 -39.87 89.95 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.954 0.797 . . . . 0.0 110.299 173.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 99.7 m -64.12 -51.63 63.02 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.532 1.133 . . . . 0.0 111.426 175.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 34.5 t80 -57.53 -41.59 81.2 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.532 0.606 . . . . 0.0 111.201 176.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 39.9 t60 -60.27 -60.64 3.49 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.077 0.951 . . . . 0.0 110.304 175.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -53.19 -34.04 55.3 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.623 1.569 . . . . 0.0 114.398 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -56.39 -47.84 78.11 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.792 1.637 . . . . 0.0 111.068 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 43.5 m80 -90.07 -20.72 22.85 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.581 1.952 . . . . 0.0 115.195 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1834 ' ' CYS . . . . . 0.429 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 8.9 t -64.77 165.03 11.14 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.953 1.301 . . . . 0.0 113.831 -177.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -147.91 -2.71 0.54 Allowed 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 -178.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -73.5 142.73 46.75 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 120.193 1.36 . . . . 0.0 112.62 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -77.08 -27.23 54.17 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 121.357 -0.84 . . . . 0.0 111.917 177.196 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 59.2 mtmt -136.52 50.22 2.05 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.579 1.952 . . . . 0.0 112.283 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 8.7 t -52.3 137.92 38.84 Favored Pre-proline 0 CA--C 1.556 1.176 0 C-N-CA 126.238 1.815 . . . . 0.0 111.97 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -64.87 -24.27 61.24 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 122.971 2.447 . . . . 0.0 114.33 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 92.3 t -67.48 121.51 79.27 Favored Pre-proline 0 N--CA 1.475 0.786 0 C-N-CA 124.385 1.074 . . . . 0.0 108.61 176.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -64.36 -40.12 26.36 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.809 2.339 . . . . 0.0 114.736 -174.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -77.73 -29.05 50.99 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 -178.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 50.2 t -42.6 -67.68 0.25 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.62 1.968 . . . . 0.0 112.852 -177.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 64.6 mt -52.7 -38.02 59.97 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.652 1.581 . . . . 0.0 113.738 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 51.4 t30 -64.88 -48.89 72.6 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.691 -0.631 . . . . 0.0 110.008 175.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 11.1 mm -57.06 -45.95 84.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-O 118.7 -0.667 . . . . 0.0 110.73 177.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1848 ' ' LYS . . . . . 0.429 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 69.0 mttt -52.16 -46.09 65.33 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 119.833 1.197 . . . . 0.0 111.734 176.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 44.7 t60 -61.84 -48.51 80.24 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.383 0.673 . . . . 0.0 110.948 177.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 12.3 mptt -57.0 -34.25 67.96 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.71 1.604 . . . . 0.0 112.246 176.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.2 mp -74.08 -46.43 43.06 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.479 1.911 . . . . 0.0 111.952 175.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -69.24 -27.77 65.75 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -80.57 -4.25 53.33 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -62.11 159.47 14.54 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.557 1.143 . . . . 0.0 113.094 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 6.1 pm0 . . . . . 0 C--O 1.238 0.498 0 C-N-CA 125.95 1.7 . . . . 0.0 112.416 178.641 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 43.8 m . . . . . 0 N--CA 1.471 0.588 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -76.59 66.84 2.64 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.086 1.754 . . . . 0.0 112.096 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.64 167.01 23.09 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.571 1.948 . . . . 0.0 112.151 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.09 135.42 70.17 Favored Pre-proline 0 CA--C 1.55 0.962 0 C-N-CA 124.3 1.04 . . . . 0.0 112.146 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -70.49 -59.34 0.08 OUTLIER 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.349 2.699 . . . . 0.0 112.412 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -163.1 175.87 10.62 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.843 2.457 . . . . 0.0 110.445 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -147.89 112.72 3.91 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 124.594 1.158 . . . . 0.0 110.377 176.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -48.98 -31.77 21.35 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 124.385 3.39 . . . . 0.0 117.004 -177.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -69.36 -19.83 63.84 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.52 -24.89 64.04 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -177.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.78 -42.62 97.73 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.376 1.07 . . . . 0.0 110.642 177.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.96 -47.67 35.82 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.414 1.086 . . . . 0.0 110.125 175.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 57.5 t -53.56 -38.88 35.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 O-C-N 121.297 -0.877 . . . . 0.0 111.436 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 70.9 m -56.36 -29.64 61.65 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -77.32 -22.5 51.8 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 120.428 1.467 . . . . 0.0 112.379 176.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 4.6 mt -90.16 -55.46 6.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 125.817 1.647 . . . . 0.0 110.994 177.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -143.85 88.43 7.68 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 127.561 2.344 . . . . 0.0 111.07 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -71.46 172.27 14.57 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 122.305 2.004 . . . . 0.0 111.801 177.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -64.46 -22.06 66.85 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 121.135 -0.978 . . . . 0.0 113.601 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 27.6 p -78.53 -51.95 9.21 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.153 1.781 . . . . 0.0 115.071 -178.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 35.0 m -142.81 165.69 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -173.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 41.6 ttm -83.71 60.39 5.71 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.648 1.579 . . . . 0.0 109.906 173.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 44.2 tp -48.5 -30.26 5.01 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.347 2.259 . . . . 0.0 115.591 -174.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.2 -16.91 15.5 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 177.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.7 p -70.92 -17.27 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 O-C-N 121.022 -1.048 . . . . 0.0 112.148 175.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -129.68 0.79 4.93 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.551 1.941 . . . . 0.0 114.607 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -135.9 149.95 49.16 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.234 1.814 . . . . 0.0 111.384 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.15 159.45 15.71 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.505 1.05 . . . . 0.0 114.58 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 70.5 mt -98.62 134.45 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 125.956 1.702 . . . . 0.0 110.316 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -79.08 59.86 2.82 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.847 1.659 . . . . 0.0 111.523 175.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 64.9 tp -55.98 -27.24 51.88 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.92 -1.112 . . . . 0.0 110.236 172.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 tp -47.28 -22.23 0.38 Allowed 'General case' 0 CA--C 1.555 1.158 1 C-N-CA 132.507 4.323 . . . . 0.0 112.684 169.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.7 t -65.48 -11.1 40.1 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.153 1.781 . . . . 0.0 115.042 177.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -59.14 163.4 5.98 Favored Pre-proline 0 CA--C 1.557 1.229 0 C-N-CA 124.825 1.25 . . . . 0.0 113.267 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -51.93 142.48 43.03 Favored 'Trans proline' 0 CA--C 1.546 1.12 0 C-N-CA 123.644 2.896 . . . . 0.0 114.791 -178.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -74.46 -9.91 21.8 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 123.69 2.927 . . . . 0.0 114.627 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -135.43 159.48 71.48 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 126.511 1.924 . . . . 0.0 111.684 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -70.92 -13.58 31.85 Favored 'Trans proline' 0 CA--C 1.546 1.079 0 C-N-CA 123.245 2.63 . . . . 0.0 113.743 178.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -122.54 -178.67 15.65 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 127.163 2.316 . . . . 0.0 111.873 176.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 34.2 m -52.67 112.8 3.76 Favored Pre-proline 0 N--CA 1.475 0.802 0 C-N-CA 125.674 1.59 . . . . 0.0 112.285 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -75.48 -12.03 20.61 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 123.055 2.503 . . . . 0.0 114.518 -177.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 . . . . . 0 N--CA 1.472 0.66 0 C-N-CA 125.497 1.519 . . . . 0.0 111.974 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 60.6 m . . . . . 0 CA--C 1.541 0.63 0 CA-C-O 119.11 -0.471 . . . . 0.0 111.929 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -63.48 -40.1 32.84 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.819 2.346 . . . . 0.0 112.661 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -63.18 -34.96 78.77 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.464 -0.772 . . . . 0.0 111.948 176.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -68.76 -55.29 11.77 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.269 1.028 . . . . 0.0 110.794 177.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 89.8 p -57.81 -36.99 72.99 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 118.933 0.788 . . . . 0.0 112.379 178.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 44.1 ttm105 -63.44 -51.3 66.31 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.345 1.458 . . . . 0.0 111.356 175.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 75.2 ttt-85 -58.4 -41.26 84.52 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.016 1.326 . . . . 0.0 111.625 176.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.6 mp -66.41 -43.57 85.4 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.604 1.162 . . . . 0.0 110.86 176.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 67.7 m -58.02 -46.45 85.27 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.451 -0.781 . . . . 0.0 111.264 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 30.3 mt -56.67 -61.11 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 125.014 1.326 . . . . 0.0 110.766 176.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -61.52 -37.25 83.04 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -177.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 15.6 mmp_? -62.37 -49.63 74.78 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.312 0.96 . . . . 0.0 110.282 175.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 14.4 t -58.52 -36.76 74.32 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 122.015 -0.428 . . . . 0.0 111.372 175.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 53.4 mt -66.11 -30.31 49.54 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 C-N-CA 124.071 0.948 . . . . 0.0 112.532 176.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -63.36 -44.79 93.8 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 120.618 1.554 . . . . 0.0 109.599 174.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 17.1 m -59.9 -41.71 92.27 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.068 1.347 . . . . 0.0 111.065 175.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 56.9 tp -58.18 -55.1 39.38 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.482 1.513 . . . . 0.0 110.512 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 92.7 t -55.51 -52.54 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.636 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 31.0 t60 -51.81 -58.8 5.38 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 118.984 0.811 . . . . 0.0 111.204 177.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -58.42 -28.23 65.05 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 85.5 m -78.92 -14.05 59.44 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 177.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -120.04 -4.83 10.06 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.881 1.437 . . . . 0.0 114.881 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 7.3 t -62.89 112.85 2.74 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.703 1.201 . . . . 0.0 113.028 -176.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 47.2 ptt85 -71.86 -5.87 37.61 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 127.115 2.166 . . . . 0.0 115.239 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 32.7 t30 -127.77 107.54 9.97 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.545 1.538 . . . . 0.0 111.744 -178.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.49 -15.12 15.66 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 178.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 11.7 m120 -97.8 6.34 47.97 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.523 1.529 . . . . 0.0 113.72 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 46.9 t -52.62 115.12 1.63 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.889 1.676 . . . . 0.0 110.552 177.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 46.3 m -94.98 18.62 11.66 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.695 1.198 . . . . 0.0 114.154 -175.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 22.0 tp -67.29 125.78 91.56 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.387 1.475 . . . . 0.0 108.902 176.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -47.87 -43.97 28.24 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.37 2.713 . . . . 0.0 115.412 -177.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 5.2 p -63.17 -51.42 66.46 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.26 1.024 . . . . 0.0 111.921 177.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 13.3 t -55.57 -54.37 44.9 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.067 1.747 . . . . 0.0 110.106 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -50.71 -58.83 4.94 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.527 1.931 . . . . 0.0 112.319 176.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 92.7 mttt -59.02 -44.14 91.68 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.68 1.192 . . . . 0.0 112.022 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 48.4 tpp -64.67 -39.22 93.3 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.041 0.936 . . . . 0.0 112.97 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 12.8 mptt -51.99 -36.5 49.93 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.2 -0.938 . . . . 0.0 113.119 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 12.3 mpt_? -55.53 -56.6 18.41 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.194 0.998 . . . . 0.0 112.243 178.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 23.2 m -68.04 -32.49 56.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 47.2 t -61.41 -48.86 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.454 0.702 . . . . 0.0 109.78 175.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -63.73 -27.91 69.53 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.351 1.06 . . . . 0.0 112.321 176.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 13.5 t60 -71.12 -65.22 0.77 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.938 0.895 . . . . 0.0 110.684 176.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 10.0 t -54.43 -34.55 61.61 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -175.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -70.74 -12.56 61.63 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 177.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -130.92 -6.81 3.49 Favored Glycine 0 CA--C 1.538 1.512 0 N-CA-C 116.594 1.397 . . . . 0.0 116.594 -178.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 54.0 t -58.1 139.37 54.86 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.255 1.527 . . . . 0.0 112.492 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 60.3 tttm -88.45 -12.3 43.47 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.391 1.876 . . . . 0.0 112.807 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -105.61 -55.84 2.27 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.97 1.708 . . . . 0.0 112.307 -178.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 45.0 mtpt 54.16 -175.65 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.399 2.28 . . . . 0.0 113.837 -177.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 69.0 p -58.78 -30.88 67.9 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 120.669 -1.269 . . . . 0.0 112.841 179.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -59.02 -39.55 82.24 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.234 1.414 . . . . 0.0 112.007 176.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -91.65 -4.41 67.75 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 125.107 1.337 . . . . 0.0 113.817 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 93.14 16.2 48.37 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 125.497 1.522 . . . . 0.0 115.957 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 17.0 t -54.7 114.06 6.28 Favored Pre-proline 0 CA--C 1.554 1.125 0 CA-C-N 119.226 1.513 . . . . 0.0 112.303 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -56.14 -42.34 67.41 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 123.546 2.831 . . . . 0.0 113.828 -179.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 38.5 t -58.3 -59.53 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.07 1.348 . . . . 0.0 110.278 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 49.6 m -55.23 -47.49 75.27 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.076 1.35 . . . . 0.0 111.018 177.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -55.05 -44.55 74.8 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.302 -0.874 . . . . 0.0 112.94 178.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -64.4 -35.17 80.03 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.661 0.664 . . . . 0.0 112.254 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 4.6 mt -65.9 -50.8 63.17 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.536 0.607 . . . . 0.0 109.901 173.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 24.1 mm -59.35 -36.81 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 118.814 -0.612 . . . . 0.0 111.799 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -57.75 -49.33 76.94 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 119.761 1.164 . . . . 0.0 111.348 176.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.37 -42.31 88.16 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.581 1.152 . . . . 0.0 111.297 176.403 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 81.4 m -59.66 -40.08 86.53 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.926 0.785 . . . . 0.0 111.043 174.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 49.7 t -64.72 -51.56 61.77 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.138 1.375 . . . . 0.0 110.786 176.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 35.5 t80 -56.71 -41.49 77.53 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.627 0.649 . . . . 0.0 111.397 176.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 56.1 t60 -60.48 -59.28 5.65 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.616 0.766 . . . . 0.0 110.124 174.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -55.22 -28.93 56.59 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.663 1.585 . . . . 0.0 114.676 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -56.59 -46.38 80.85 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.702 1.601 . . . . 0.0 110.686 176.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 49.4 m80 -89.93 -30.17 18.02 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.987 2.115 . . . . 0.0 114.201 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 14.1 t -66.86 165.0 16.16 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.189 1.395 . . . . 0.0 113.303 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -155.87 -2.95 0.13 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.888 2.075 . . . . 0.0 114.768 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -69.23 114.94 7.95 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.827 -1.17 . . . . 0.0 110.968 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -15.76 35.66 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 -177.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -129.63 26.79 5.3 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.486 1.914 . . . . 0.0 113.463 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 10.5 t -47.85 133.97 11.28 Favored Pre-proline 0 CA--C 1.558 1.255 0 C-N-CA 126.422 1.889 . . . . 0.0 112.346 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.34 -24.85 64.38 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.64 2.893 . . . . 0.0 115.484 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 84.3 t -65.46 116.13 28.33 Favored Pre-proline 0 N--CA 1.477 0.875 0 C-N-CA 124.742 1.217 . . . . 0.0 109.994 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -48.54 -52.27 8.79 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 124.241 3.294 . . . . 0.0 116.016 -176.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -78.03 -23.76 48.1 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 114.657 1.355 . . . . 0.0 114.657 -177.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 44.0 t -46.19 -64.74 0.68 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.268 1.427 . . . . 0.0 112.005 -178.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 56.6 mt -53.49 -39.08 64.28 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.882 1.273 . . . . 0.0 114.019 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -62.37 -49.73 74.39 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.434 0.561 . . . . 0.0 109.834 176.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 7.4 mm -59.25 -48.59 86.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-O 119.025 -0.512 . . . . 0.0 110.234 176.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -52.94 -43.93 66.69 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 119.634 1.106 . . . . 0.0 112.082 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 64.0 t60 -62.11 -53.19 58.94 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.282 0.633 . . . . 0.0 110.573 176.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 8.7 mptt -51.05 -43.61 60.97 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.236 1.414 . . . . 0.0 111.212 176.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 3.7 mp -58.4 -30.69 67.04 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.141 1.776 . . . . 0.0 114.671 177.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -93.8 -24.63 17.71 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 119.311 0.96 . . . . 0.0 111.829 176.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -73.74 -40.23 63.67 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.667 1.587 . . . . 0.0 111.823 178.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -68.95 164.11 22.97 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.186 1.394 . . . . 0.0 113.557 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 23.8 mm100 . . . . . 0 N--CA 1.47 0.544 0 C-N-CA 125.024 1.33 . . . . 0.0 111.57 178.353 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 41.4 m . . . . . 0 N--CA 1.471 0.613 0 N-CA-C 114.042 1.126 . . . . 0.0 114.042 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 -143.61 165.01 28.8 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 126.252 1.821 . . . . 0.0 111.531 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 25.6 ptp -150.4 172.09 15.97 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.359 1.463 . . . . 0.0 112.667 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.52 154.06 91.84 Favored Pre-proline 0 CA--C 1.554 1.098 0 C-N-CA 124.169 0.988 . . . . 0.0 112.044 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -67.7 -65.47 0.04 OUTLIER 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 123.401 2.734 . . . . 0.0 112.808 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -162.4 172.89 14.86 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.82 2.048 . . . . 0.0 111.157 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -147.28 118.89 4.63 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 125.793 1.637 . . . . 0.0 109.265 175.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -48.19 -30.62 15.04 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 124.181 3.254 . . . . 0.0 116.642 -177.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -77.38 -17.89 57.8 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -57.95 -33.42 68.83 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -174.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.74 -44.7 89.28 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.313 1.045 . . . . 0.0 111.223 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.87 -26.16 64.99 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.253 1.021 . . . . 0.0 113.331 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 65.3 t -79.41 -48.97 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.542 1.137 . . . . 0.0 110.109 176.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 48.9 m -49.31 -42.38 41.26 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.048 1.739 . . . . 0.0 114.815 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 -64.74 -26.3 68.3 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 8.4 mt -90.01 -55.95 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 126.475 1.91 . . . . 0.0 109.425 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -153.45 102.33 2.57 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 127.545 2.338 . . . . 0.0 113.343 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -78.43 175.27 11.27 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 123.284 2.656 . . . . 0.0 111.347 176.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -77.99 -16.85 57.78 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 120.92 -1.112 . . . . 0.0 113.567 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 23.9 p -77.58 -50.22 13.01 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.23 1.812 . . . . 0.0 114.187 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 35.9 m -139.79 159.02 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.818 1.647 . . . . 0.0 112.921 -177.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 89.7 mmm -80.23 56.57 2.5 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.767 1.227 . . . . 0.0 111.414 176.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 tt -49.67 -31.42 10.97 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.4 1.88 . . . . 0.0 113.003 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.06 -29.22 28.85 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 175.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 1.8 p -62.92 -17.91 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 119.619 1.1 . . . . 0.0 113.814 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -127.06 14.95 7.35 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.867 2.067 . . . . 0.0 113.079 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -131.06 174.99 9.46 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.577 1.951 . . . . 0.0 111.81 -177.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.24 165.75 32.91 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.001 1.286 . . . . 0.0 113.306 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 62.9 mt -122.47 118.05 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 126.076 1.751 . . . . 0.0 108.919 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -74.9 65.57 1.42 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.001 1.32 . . . . 0.0 113.26 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 51.4 tp -74.81 -13.93 60.63 Favored 'General case' 0 CA--C 1.551 1.001 0 O-C-N 120.517 -1.364 . . . . 0.0 112.615 176.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.501 HD12 ' H ' ' B' ' 81' ' ' LEU . 1.0 OUTLIER -68.02 -30.36 69.57 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.936 2.095 . . . . 0.0 114.465 -176.478 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.8 t -76.73 -10.64 59.52 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.141 1.376 . . . . 0.0 114.515 -177.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -74.73 163.37 68.68 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 125.122 1.369 . . . . 0.0 112.853 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.62 152.53 27.09 Favored 'Trans proline' 0 CA--C 1.547 1.157 0 C-N-CA 123.592 2.862 . . . . 0.0 113.155 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . 0.252 0.2 OUTLIER -31.6 101.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.733 1 C-N-CA 126.663 4.909 . . . . 0.0 117.722 -178.61 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.69 157.77 85.12 Favored Pre-proline 0 CA--C 1.55 0.971 0 C-N-CA 129.355 3.062 . . . . 0.0 113.534 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -73.06 -10.56 24.65 Favored 'Trans proline' 0 CA--C 1.546 1.083 0 C-N-CA 123.612 2.875 . . . . 0.0 113.803 178.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -168.75 171.12 42.7 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 127.785 2.612 . . . . 0.0 110.551 178.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 34.1 m -56.66 107.71 0.98 Allowed Pre-proline 0 N--CA 1.475 0.824 0 C-N-CA 126.066 1.746 . . . . 0.0 112.612 -178.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.72 -32.52 94.89 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 123.447 2.764 . . . . 0.0 114.997 -178.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 N--CA 1.47 0.573 0 C-N-CA 125.385 1.474 . . . . 0.0 112.302 179.08 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 CA--C 1.541 0.62 0 CA-C-O 119.071 -0.49 . . . . 0.0 111.93 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -62.2 -40.41 41.62 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.509 2.139 . . . . 0.0 111.992 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -59.55 -34.96 73.32 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.084 0.553 . . . . 0.0 112.458 176.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -67.45 -50.18 60.37 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.377 0.671 . . . . 0.0 110.006 176.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 49.6 m -54.63 -43.19 72.08 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.862 0.865 . . . . 0.0 111.65 177.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -62.82 -54.07 44.56 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.729 1.212 . . . . 0.0 110.763 175.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -56.51 -37.97 71.15 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.716 1.206 . . . . 0.0 112.502 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 37.3 mt -66.79 -41.99 86.73 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.24 1.416 . . . . 0.0 111.068 176.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 48.6 p -62.5 -39.62 94.08 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.214 0.915 . . . . 0.0 111.644 178.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 79.3 mt -58.8 -63.99 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 125.482 1.513 . . . . 0.0 110.112 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -60.16 -33.59 72.4 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -178.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -66.36 -51.46 56.95 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.757 0.823 . . . . 0.0 110.743 175.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 23.0 t -58.01 -34.75 70.35 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 118.524 0.602 . . . . 0.0 111.501 176.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 50.8 mt -62.05 -28.07 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 O-C-N 121.005 -1.059 . . . . 0.0 112.452 176.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -63.32 -46.07 88.34 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.379 1.445 . . . . 0.0 109.559 174.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 9.0 m -59.7 -40.75 88.97 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.773 1.629 . . . . 0.0 111.184 175.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.19 -54.62 44.89 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.337 1.455 . . . . 0.0 110.648 176.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 91.8 t -55.61 -50.46 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-O 118.428 -0.796 . . . . 0.0 110.45 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 27.2 t60 -52.57 -58.22 7.48 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.789 0.722 . . . . 0.0 111.012 177.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -56.55 -29.5 62.03 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 91.3 m -78.3 -14.15 59.54 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -120.04 -12.96 9.04 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 8.7 t -58.87 124.22 19.11 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.78 1.632 . . . . 0.0 112.175 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -78.73 -14.09 59.47 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.785 2.034 . . . . 0.0 115.407 -175.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 29.1 t30 -131.37 113.01 13.24 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.868 1.267 . . . . 0.0 112.702 -176.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -58.97 -15.89 15.26 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -92.11 6.93 44.69 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.144 1.777 . . . . 0.0 113.691 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 44.4 t -44.74 130.43 7.06 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 127.204 2.202 . . . . 0.0 113.0 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 20.2 m -75.43 -9.35 58.49 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 -176.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 16.9 tp -71.7 122.38 87.07 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 124.506 1.123 . . . . 0.0 112.373 -177.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.92 -41.79 61.54 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 123.147 2.564 . . . . 0.0 113.321 177.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 70.4 m -57.2 -49.06 77.17 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.328 1.451 . . . . 0.0 112.135 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 25.2 t -60.98 -56.3 22.73 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.924 1.69 . . . . 0.0 109.909 177.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -51.14 -52.06 47.55 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.566 1.546 . . . . 0.0 113.129 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -64.26 -45.43 88.12 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.29 1.036 . . . . 0.0 111.736 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 46.8 tpp -60.29 -39.5 87.15 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.962 0.905 . . . . 0.0 112.317 176.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -52.51 -34.77 51.18 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.108 0.963 . . . . 0.0 113.475 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -58.65 -58.51 8.24 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-N 119.9 1.227 . . . . 0.0 111.942 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 27.0 m -65.97 -33.9 66.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 118.306 0.503 . . . . 0.0 112.333 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 43.7 t -62.71 -47.22 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.841 0.856 . . . . 0.0 110.199 175.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -63.0 -30.02 71.27 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.439 1.096 . . . . 0.0 112.098 175.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 9.6 t60 -67.27 -65.28 0.7 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.495 0.718 . . . . 0.0 109.988 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 9.3 t -55.57 -34.75 65.05 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -175.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -72.81 -16.23 61.62 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -116.13 -9.13 12.29 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 125.702 1.62 . . . . 0.0 115.704 -178.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 9.5 t -64.81 168.98 5.56 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.728 1.611 . . . . 0.0 112.604 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -122.91 3.0 9.43 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.461 2.304 . . . . 0.0 112.812 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -130.02 179.85 5.63 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 128.836 2.854 . . . . 0.0 109.405 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1812 ' ' LYS . . . . . 0.429 ' HG3' ' H ' ' A' 1813 ' ' THR . 10.2 tptm -162.45 -172.25 3.09 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 126.189 1.796 . . . . 0.0 110.762 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1813 ' ' THR . . . . . 0.429 ' H ' ' HG3' ' A' 1812 ' ' LYS . 22.8 p -51.32 -47.48 62.65 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.589 1.956 . . . . 0.0 112.336 176.308 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 40.7 t30 -61.66 -32.27 72.43 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.208 1.403 . . . . 0.0 112.875 178.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -86.66 -23.22 43.51 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 124.734 1.159 . . . . 0.0 113.377 177.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 107.23 10.56 27.48 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 126.236 1.874 . . . . 0.0 116.946 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 9.6 t -61.24 111.03 3.59 Favored Pre-proline 0 CA--C 1.551 0.995 0 CA-C-N 120.31 2.055 . . . . 0.0 111.647 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -59.7 -47.67 15.36 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.84 2.36 . . . . 0.0 113.911 -177.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 42.8 t -56.64 -56.45 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 CA-C-N 119.162 0.892 . . . . 0.0 111.364 -178.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 62.1 m -54.63 -45.66 73.79 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.484 1.114 . . . . 0.0 110.442 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -55.8 -42.61 75.87 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.122 0.969 . . . . 0.0 112.642 177.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -61.31 -43.91 98.09 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.202 0.91 . . . . 0.0 111.166 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 6.3 mt -63.95 -53.92 42.68 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.982 0.513 . . . . 0.0 111.601 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 37.3 mm -56.4 -36.17 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.794 0.838 . . . . 0.0 112.431 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -58.34 -48.07 81.75 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.728 1.149 . . . . 0.0 111.678 175.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.85 -42.32 81.53 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.738 1.215 . . . . 0.0 111.283 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 97.6 m -58.55 -40.09 82.04 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.296 0.953 . . . . 0.0 110.909 174.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 49.3 t -64.16 -51.96 61.34 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.196 0.998 . . . . 0.0 111.116 176.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 32.7 t80 -56.16 -42.89 77.72 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.465 0.706 . . . . 0.0 111.309 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 44.4 t60 -58.97 -59.46 5.43 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.126 0.97 . . . . 0.0 110.147 175.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -54.12 -32.62 55.57 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.379 1.472 . . . . 0.0 114.644 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -56.28 -46.5 79.71 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.907 1.683 . . . . 0.0 111.114 177.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 47.6 m80 -90.24 -26.04 20.27 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.55 1.94 . . . . 0.0 114.634 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1834 ' ' CYS . . . . . 0.431 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 9.1 t -64.42 151.26 44.61 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.723 1.209 . . . . 0.0 113.602 -177.438 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -138.07 -1.36 1.97 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.409 1.884 . . . . 0.0 114.145 -178.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -73.74 134.31 43.46 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 120.646 -1.284 . . . . 0.0 112.133 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 31.0 t30 -71.41 -24.76 62.11 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -178.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -135.2 45.76 2.47 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 126.804 2.042 . . . . 0.0 112.03 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 25.8 t -53.66 136.89 53.63 Favored Pre-proline 0 CA--C 1.559 1.297 0 C-N-CA 125.703 1.601 . . . . 0.0 112.659 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -65.48 -25.03 55.97 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 123.474 2.782 . . . . 0.0 114.796 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 82.3 t -65.24 125.66 89.82 Favored Pre-proline 0 N--CA 1.476 0.864 0 CA-C-N 119.357 0.981 . . . . 0.0 109.211 178.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -62.8 -48.28 7.22 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.116 2.544 . . . . 0.0 115.104 -174.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -76.77 -24.44 52.9 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -177.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 53.0 t -41.99 -67.73 0.24 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.501 1.92 . . . . 0.0 113.145 -177.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 1.1 mp -52.35 -40.66 62.25 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.227 1.411 . . . . 0.0 113.846 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -62.19 -48.38 80.29 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.847 0.459 . . . . 0.0 110.265 176.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 10.7 mm -57.96 -47.22 87.09 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 118.531 -0.747 . . . . 0.0 110.516 176.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1848 ' ' LYS . . . . . 0.431 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 65.6 mttt -52.59 -46.5 66.96 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 120.004 1.275 . . . . 0.0 111.614 177.017 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 55.9 t60 -60.77 -45.7 93.35 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.969 0.907 . . . . 0.0 111.604 177.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -60.11 -46.36 89.88 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.395 1.478 . . . . 0.0 111.211 175.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.5 mp -58.28 -38.15 76.42 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.902 1.681 . . . . 0.0 112.191 176.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -65.65 -22.64 66.66 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.278 1.031 . . . . 0.0 113.739 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -72.72 -14.06 61.47 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -68.48 -17.17 64.12 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.676 1.19 . . . . 0.0 113.402 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 . . . . . 0 C--O 1.24 0.565 0 C-N-CA 125.746 1.618 . . . . 0.0 112.283 179.765 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 40.7 m . . . . . 0 CA--C 1.541 0.602 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -142.04 176.67 8.77 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.572 1.949 . . . . 0.0 112.159 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 95.3 mtp -131.1 170.79 14.06 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.054 1.742 . . . . 0.0 111.545 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.96 156.86 78.78 Favored Pre-proline 0 CA--C 1.547 0.847 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -77.26 -179.62 5.61 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 124.694 3.596 . . . . 0.0 106.763 169.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -114.91 165.62 12.67 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 124.361 1.064 . . . . 0.0 110.609 175.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -152.31 120.7 3.26 Favored Pre-proline 0 CA--C 1.545 0.766 0 C-N-CA 124.42 1.088 . . . . 0.0 110.307 -177.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -51.04 -29.85 29.22 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.505 2.804 . . . . 0.0 115.843 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -71.96 -21.31 61.61 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.097 0.959 . . . . 0.0 113.042 178.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -60.7 -29.51 69.37 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 120.039 1.29 . . . . 0.0 113.723 -176.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -64.41 -35.82 82.15 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.408 1.083 . . . . 0.0 111.246 176.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.58 -31.78 63.79 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.123 0.969 . . . . 0.0 111.629 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 28.8 t -71.29 -46.44 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-N 118.608 0.64 . . . . 0.0 109.608 175.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 8.6 t -47.18 -51.91 17.09 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.437 2.295 . . . . 0.0 114.536 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -64.48 -21.15 66.58 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 13.1 mt -90.24 -53.92 8.37 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 C-N-CA 125.645 1.578 . . . . 0.0 109.981 176.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -153.03 102.83 2.64 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 128.06 2.544 . . . . 0.0 111.099 177.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -77.21 175.14 11.71 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 122.83 2.354 . . . . 0.0 112.33 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -65.35 -26.36 67.99 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.06 -1.025 . . . . 0.0 112.971 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 19.0 m -69.81 -47.32 63.25 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.608 1.563 . . . . 0.0 114.812 -178.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 29.8 m -146.14 158.41 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 125.181 1.392 . . . . 0.0 113.297 -176.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 51.0 ttm -79.47 64.92 4.49 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.599 1.159 . . . . 0.0 110.191 174.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 17.9 tp -55.28 -21.58 15.18 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.142 1.377 . . . . 0.0 113.088 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.28 -22.14 17.38 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.199 1.4 . . . . 0.0 113.415 174.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.3 p -72.6 -13.99 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.05 0.94 . . . . 0.0 112.944 176.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -128.19 -22.83 3.37 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.412 1.485 . . . . 0.0 114.193 178.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -72.29 161.34 30.98 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.047 1.339 . . . . 0.0 111.678 176.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.59 96.29 0.17 Allowed Glycine 0 CA--C 1.531 1.07 0 C-N-CA 125.01 1.29 . . . . 0.0 112.839 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 67.8 mt -63.55 103.73 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.658 1.583 . . . . 0.0 109.469 178.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -77.58 59.3 1.93 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.178 1.391 . . . . 0.0 112.607 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 tt -49.63 -29.91 8.02 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.17 1.788 . . . . 0.0 113.425 -178.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 65.8 mt -50.5 -20.43 1.15 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.229 2.212 . . . . 0.0 113.762 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.2 t -62.38 -17.99 60.45 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.226 2.211 . . . . 0.0 113.902 174.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -57.6 147.7 59.52 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 124.581 1.152 . . . . 0.0 113.765 -176.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.53 167.34 24.42 Favored 'Trans proline' 0 CA--C 1.548 1.204 0 C-N-CA 123.259 2.639 . . . . 0.0 112.838 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -50.51 -28.98 23.11 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 124.402 3.401 . . . . 0.0 115.303 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -136.08 118.46 12.03 Favored Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 126.989 2.116 . . . . 0.0 108.278 175.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -65.47 -4.71 10.01 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.569 2.846 . . . . 0.0 115.462 -176.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -92.77 -8.63 61.9 Favored Glycine 0 CA--C 1.541 1.673 0 C-N-CA 125.102 1.334 . . . . 0.0 114.06 175.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 72.4 m -73.1 151.75 90.44 Favored Pre-proline 0 N--CA 1.473 0.697 0 CA-C-N 118.824 1.312 . . . . 0.0 111.993 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -74.99 -3.43 13.92 Favored 'Trans proline' 0 CA--C 1.545 1.034 0 C-N-CA 123.253 2.636 . . . . 0.0 115.183 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 . . . . . 0 CA--C 1.544 0.736 0 C-N-CA 125.929 1.691 . . . . 0.0 113.075 -178.24 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 27.6 t . . . . . 0 CA--C 1.541 0.617 0 CA-C-O 118.947 -0.549 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -50.08 -42.46 45.91 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.871 3.047 . . . . 0.0 113.887 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -60.85 -43.09 98.8 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.784 0.833 . . . . 0.0 111.897 177.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -66.37 -46.04 78.04 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.617 0.767 . . . . 0.0 110.887 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 62.8 m -54.84 -45.17 74.44 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.952 0.901 . . . . 0.0 110.968 176.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -63.1 -49.88 72.7 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.394 1.078 . . . . 0.0 111.433 175.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 30.7 ttm-85 -53.02 -45.19 67.86 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.213 1.405 . . . . 0.0 112.257 177.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 8.5 mp -70.06 -43.45 71.17 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.03 1.332 . . . . 0.0 111.476 177.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 57.7 m -62.75 -41.55 99.25 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.36 -0.837 . . . . 0.0 111.569 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 40.4 mt -55.39 -62.37 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 125.512 1.525 . . . . 0.0 109.911 176.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -60.17 -44.85 94.72 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -57.9 -47.04 83.99 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.074 0.852 . . . . 0.0 111.478 176.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 26.6 t -61.65 -38.48 87.86 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 122.825 0.45 . . . . 0.0 111.04 175.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 51.5 mt -63.72 -37.53 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.363 1.065 . . . . 0.0 112.249 177.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -58.28 -44.12 88.33 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 120.455 1.48 . . . . 0.0 110.095 174.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 25.1 m -65.14 -36.47 84.37 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.916 0.886 . . . . 0.0 112.138 175.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.02 -52.85 63.63 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.056 1.742 . . . . 0.0 109.512 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 90.4 t -56.71 -50.71 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.877 0.871 . . . . 0.0 110.226 176.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 34.0 t60 -52.1 -58.0 7.88 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.735 0.814 . . . . 0.0 111.03 177.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -55.73 -30.38 61.11 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 89.0 m -74.22 -15.09 61.01 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 177.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -119.84 -15.13 8.9 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.181 1.392 . . . . 0.0 114.134 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 15.5 t -60.83 119.1 7.55 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.39 1.876 . . . . 0.0 111.678 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -74.06 -8.5 56.35 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 126.429 1.892 . . . . 0.0 115.683 -175.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 25.8 t30 -140.35 115.02 9.49 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.472 1.109 . . . . 0.0 112.722 -176.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.75 -15.46 20.28 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 177.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -93.53 11.28 29.18 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 126.564 1.946 . . . . 0.0 113.538 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 52.9 t -44.88 138.15 3.7 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 127.564 2.346 . . . . 0.0 112.969 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 78.9 p -73.48 -5.36 39.58 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 -176.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 27.0 tp -77.8 119.15 76.28 Favored Pre-proline 0 CA--C 1.549 0.937 0 CA-C-N 120.312 1.414 . . . . 0.0 110.829 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.11 -42.15 39.68 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 123.356 2.704 . . . . 0.0 114.899 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 91.1 p -70.8 -37.15 73.26 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 49.7 t -59.38 -50.14 75.1 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.433 1.493 . . . . 0.0 109.776 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -49.19 -50.09 39.64 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.546 1.538 . . . . 0.0 111.977 176.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -66.08 -50.73 63.08 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.51 1.124 . . . . 0.0 111.821 177.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 57.4 tpp -54.37 -40.99 68.65 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.011 1.324 . . . . 0.0 113.077 178.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -51.97 -37.33 52.6 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.049 0.939 . . . . 0.0 113.223 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -60.73 -57.64 11.84 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.557 1.071 . . . . 0.0 111.848 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 17.8 m -62.4 -36.94 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 118.523 0.601 . . . . 0.0 112.196 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 44.9 t -61.24 -50.94 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.007 0.923 . . . . 0.0 110.332 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -63.01 -29.54 70.9 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.188 0.995 . . . . 0.0 112.405 176.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.4 t60 -68.54 -66.95 0.51 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.157 0.983 . . . . 0.0 110.0 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 2.8 t -56.7 -33.22 66.25 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 -174.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -69.35 -14.08 62.72 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -133.28 0.36 4.31 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 124.953 1.263 . . . . 0.0 116.154 -178.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 49.6 t -56.01 129.98 42.03 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.026 1.413 . . . . 0.0 112.732 -178.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -72.86 -7.18 49.63 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.598 1.559 . . . . 0.0 113.032 178.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -119.95 -55.54 2.07 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.731 2.013 . . . . 0.0 111.769 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1812 ' ' LYS . . . . . 0.46 ' HG2' ' H ' ' A' 1813 ' ' THR . 22.5 tttm 54.4 -175.69 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 127.596 2.358 . . . . 0.0 113.536 -177.419 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1813 ' ' THR . . . . . 0.46 ' H ' ' HG2' ' A' 1812 ' ' LYS . 81.2 p -57.67 -32.94 67.82 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 120.34 -1.475 . . . . 0.0 112.601 178.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 38.1 t30 -58.5 -40.0 81.6 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.408 1.483 . . . . 0.0 112.267 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -91.28 -5.44 67.46 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 125.065 1.317 . . . . 0.0 113.866 177.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 97.02 14.8 41.23 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.622 1.582 . . . . 0.0 116.122 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 25.3 t -56.76 119.25 28.28 Favored Pre-proline 0 CA--C 1.552 1.023 0 CA-C-N 119.432 1.616 . . . . 0.0 111.761 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -65.06 -38.21 29.34 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.941 2.427 . . . . 0.0 113.739 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 64.5 t -58.46 -57.69 9.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.248 1.019 . . . . 0.0 110.34 178.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 56.6 m -53.78 -45.58 70.73 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.372 1.469 . . . . 0.0 110.642 177.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -40.81 74.18 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 118.208 -0.901 . . . . 0.0 112.233 177.24 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -62.94 -44.91 94.79 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.666 1.121 . . . . 0.0 111.426 177.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.79 -50.1 68.11 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 122.933 0.493 . . . . 0.0 111.755 178.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 39.7 mm -64.19 -31.52 53.7 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 124.158 0.983 . . . . 0.0 112.034 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -58.88 -49.24 78.51 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 120.371 1.441 . . . . 0.0 110.584 174.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.81 -42.6 97.65 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.525 1.13 . . . . 0.0 110.827 175.285 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 11.0 t -59.79 -35.78 75.36 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 118.649 0.659 . . . . 0.0 111.676 174.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 37.1 t -67.92 -49.1 63.84 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.32 1.048 . . . . 0.0 110.645 176.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 24.7 t80 -57.5 -37.54 73.15 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.242 0.617 . . . . 0.0 111.199 175.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 41.7 t60 -64.29 -63.17 1.21 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.526 1.13 . . . . 0.0 109.955 173.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -50.74 -37.03 39.44 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.409 1.883 . . . . 0.0 114.588 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -55.51 -46.78 76.93 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 126.364 1.865 . . . . 0.0 111.494 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 32.7 m80 -90.02 -24.71 21.14 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.321 1.448 . . . . 0.0 114.232 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1834 ' ' CYS . . . . . 0.45 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 14.4 t -64.31 151.27 44.29 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.74 1.616 . . . . 0.0 112.994 -178.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -136.49 -3.77 2.11 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.075 1.75 . . . . 0.0 114.311 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -76.12 115.45 15.85 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.715 -1.241 . . . . 0.0 111.687 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 36.9 t30 -61.39 -17.55 54.62 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -131.72 35.78 3.77 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.88 2.072 . . . . 0.0 113.038 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 18.0 t -50.54 135.45 25.34 Favored Pre-proline 0 CA--C 1.559 1.321 0 C-N-CA 126.206 1.803 . . . . 0.0 112.432 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -66.16 -19.43 56.82 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 123.67 2.913 . . . . 0.0 115.627 -177.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 74.8 t -68.56 117.51 51.04 Favored Pre-proline 0 N--CA 1.475 0.818 0 C-N-CA 124.394 1.078 . . . . 0.0 109.709 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -48.74 -51.32 10.61 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 124.297 3.331 . . . . 0.0 116.378 -176.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -81.36 -23.1 37.93 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -176.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 48.6 t -42.58 -65.21 0.5 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.331 1.853 . . . . 0.0 112.815 -177.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 58.6 mt -54.33 -37.09 64.47 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.343 1.457 . . . . 0.0 113.573 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 55.1 t30 -65.91 -46.77 77.04 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 118.627 0.649 . . . . 0.0 110.207 175.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 11.4 mm -58.06 -47.48 86.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-O 118.704 -0.665 . . . . 0.0 110.401 176.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1848 ' ' LYS . . . . . 0.45 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 69.7 mttt -52.29 -46.23 65.84 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 119.724 1.147 . . . . 0.0 111.549 176.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 50.5 t60 -60.37 -51.41 69.61 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.559 0.744 . . . . 0.0 110.746 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 11.1 mptt -54.24 -42.4 69.84 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.203 1.401 . . . . 0.0 111.66 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.7 mp -62.57 -46.18 89.51 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.915 1.686 . . . . 0.0 112.07 176.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -68.7 -28.73 67.1 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.864 0.866 . . . . 0.0 113.203 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -70.09 -12.73 61.81 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.555 1.142 . . . . 0.0 113.693 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -65.46 -22.02 66.7 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.381 1.072 . . . . 0.0 113.182 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 22.1 mm100 . . . . . 0 C--O 1.24 0.57 0 C-N-CA 125.437 1.495 . . . . 0.0 111.414 179.347 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 CA--C 1.54 0.573 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -69.22 166.41 18.45 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.39 1.076 . . . . 0.0 112.809 178.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 64.2 mtt -113.83 26.16 10.59 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.427 1.891 . . . . 0.0 111.851 178.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.63 151.64 50.75 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 126.311 1.844 . . . . 0.0 114.561 -178.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -80.72 -119.97 0.01 OUTLIER 'Trans proline' 0 CA--C 1.55 1.306 0 C-N-CA 124.449 3.433 . . . . 0.0 109.383 175.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -150.35 168.16 24.92 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.378 1.471 . . . . 0.0 111.967 176.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -155.48 152.23 24.1 Favored Pre-proline 0 CA--C 1.542 0.641 0 C-N-CA 126.16 1.784 . . . . 0.0 110.366 177.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -71.74 -7.57 21.41 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.378 2.052 . . . . 0.0 114.906 -176.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -95.36 -11.64 27.41 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.56 -34.79 74.68 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.139 -0.975 . . . . 0.0 112.957 -176.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -72.03 -33.26 67.88 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.586 1.154 . . . . 0.0 111.672 176.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.71 -43.6 68.64 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.368 1.067 . . . . 0.0 111.432 177.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 33.1 m -73.01 -37.53 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 119.142 0.883 . . . . 0.0 111.906 176.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 73.7 m -57.85 -42.32 84.23 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -177.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -68.89 -23.59 64.22 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 15.9 mt -90.19 -52.44 10.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 C-N-CA 126.325 1.85 . . . . 0.0 111.223 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -150.36 91.05 4.23 Favored Pre-proline 0 CA--C 1.559 1.306 0 C-N-CA 129.332 3.053 . . . . 0.0 112.323 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -74.89 173.99 13.51 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 123.086 2.524 . . . . 0.0 113.103 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -70.52 -22.29 62.64 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.3 -0.875 . . . . 0.0 112.931 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 24.9 p -73.8 -54.16 8.64 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.326 1.85 . . . . 0.0 113.694 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 20.2 m -140.63 160.46 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.624 1.57 . . . . 0.0 112.951 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 96.7 mmm -81.93 67.13 7.8 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.345 1.058 . . . . 0.0 110.89 175.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.42 -28.0 18.14 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.52 -19.58 3.91 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.5 p -75.96 -15.99 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 119.233 0.924 . . . . 0.0 113.094 176.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -130.1 -26.55 2.36 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.99 1.716 . . . . 0.0 114.643 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -80.99 160.92 24.47 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.056 2.142 . . . . 0.0 111.999 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -133.48 159.98 23.83 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.99 1.281 . . . . 0.0 113.586 178.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 82.1 mt -119.85 116.1 49.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 126.399 1.879 . . . . 0.0 109.074 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -77.81 64.58 3.09 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.564 1.146 . . . . 0.0 112.752 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 tt -57.19 -21.37 32.82 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.589 1.556 . . . . 0.0 112.559 177.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 59.7 mt -53.29 -14.93 0.81 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 127.466 2.306 . . . . 0.0 113.385 175.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.6 t -64.65 -16.86 63.43 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.662 2.385 . . . . 0.0 113.868 175.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -54.01 162.25 1.53 Allowed Pre-proline 0 CA--C 1.561 1.367 0 C-N-CA 126.134 1.774 . . . . 0.0 115.582 -177.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . 0.274 75.6 Cg_exo -45.41 -58.72 1.46 Allowed 'Trans proline' 0 CA--C 1.548 1.222 1 C-N-CA 125.342 4.028 . . . . 0.0 119.236 -173.511 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -70.62 162.9 40.87 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 122.22 1.947 . . . . 0.0 110.987 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . 0.15 80.36 0.04 OUTLIER Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 128.886 2.874 . . . . 0.0 114.935 -176.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -67.49 119.87 6.9 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 123.427 2.751 . . . . 0.0 112.771 -174.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -82.96 -179.07 52.59 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 124.611 1.1 . . . . 0.0 113.338 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 48.5 m -56.79 120.64 39.14 Favored Pre-proline 0 CA--C 1.542 0.656 0 C-N-CA 125.673 1.589 . . . . 0.0 112.278 -178.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -77.36 1.7 8.48 Favored 'Trans proline' 0 CA--C 1.546 1.089 0 C-N-CA 123.445 2.763 . . . . 0.0 114.4 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 . . . . . 0 N--CA 1.473 0.677 0 C-N-CA 126.936 2.094 . . . . 0.0 112.977 -179.414 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 69.2 m . . . . . 0 CA--C 1.541 0.603 0 CA-C-O 118.634 -0.698 . . . . 0.0 112.129 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.87 -47.03 29.37 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 123.367 2.712 . . . . 0.0 112.727 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 19.8 tm0? -56.59 -48.12 78.11 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.319 1.447 . . . . 0.0 111.313 177.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -62.66 -49.55 74.69 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.743 0.817 . . . . 0.0 110.857 177.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 9.3 t -55.48 -48.32 74.75 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.922 1.289 . . . . 0.0 112.151 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.96 -48.42 78.93 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.14 0.976 . . . . 0.0 111.375 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -59.28 -41.95 90.12 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.775 0.83 . . . . 0.0 112.021 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 50.2 mt -65.77 -38.39 88.91 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.606 1.163 . . . . 0.0 111.376 176.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 55.0 m -64.46 -44.43 91.12 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.496 -0.752 . . . . 0.0 111.175 178.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 64.4 mt -54.69 -60.62 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 124.405 1.082 . . . . 0.0 110.782 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -60.92 -32.59 72.08 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -65.0 -52.03 58.38 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.888 0.875 . . . . 0.0 110.655 175.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 32.2 t -59.13 -35.39 73.37 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.038 0.835 . . . . 0.0 111.596 176.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 51.2 mt -60.87 -25.11 34.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 C-N-CA 124.35 1.06 . . . . 0.0 112.331 175.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -64.8 -42.76 94.76 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 120.135 -1.603 . . . . 0.0 109.666 172.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 8.1 t -62.25 -41.21 98.24 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.335 1.054 . . . . 0.0 111.274 174.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 58.6 tp -54.41 -51.95 63.27 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.454 1.101 . . . . 0.0 110.938 175.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 48.0 t -61.58 -50.72 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.251 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 34.0 t60 -52.12 -58.87 5.27 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.483 1.038 . . . . 0.0 111.761 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.33 -33.02 67.3 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 12.7 p -76.14 -12.62 60.14 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -120.09 -7.78 9.83 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.242 1.417 . . . . 0.0 114.735 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 12.9 t -61.93 116.77 5.15 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.356 1.462 . . . . 0.0 111.41 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -74.73 -6.26 47.86 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.032 1.733 . . . . 0.0 115.546 -175.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 30.8 t30 -135.99 110.84 8.76 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.575 1.15 . . . . 0.0 112.28 -177.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -58.23 -16.04 12.29 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 178.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -90.78 4.89 50.42 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.109 1.764 . . . . 0.0 113.694 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 49.5 t -45.17 122.94 3.65 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.074 2.15 . . . . 0.0 112.348 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 15.4 m -73.54 -4.83 36.39 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 115.9 1.815 . . . . 0.0 115.9 -175.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 13.2 tp -66.18 133.28 94.6 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-N 120.697 1.59 . . . . 0.0 109.854 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -64.36 -38.21 35.55 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 121.719 1.613 . . . . 0.0 111.708 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 20.2 m -63.12 -49.47 74.27 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.982 1.313 . . . . 0.0 111.85 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 35.1 t -55.83 -52.25 64.66 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.465 1.506 . . . . 0.0 110.708 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -54.33 -48.72 71.06 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.779 1.231 . . . . 0.0 112.305 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -60.89 -48.9 79.7 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 118.835 0.743 . . . . 0.0 111.407 175.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 3.1 tpt -54.8 -41.02 70.09 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.938 0.895 . . . . 0.0 112.098 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 13.8 mptt -54.02 -35.41 61.9 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 117.799 -1.096 . . . . 0.0 113.064 177.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -63.36 -54.23 40.05 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 120.181 1.355 . . . . 0.0 111.496 177.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 22.9 m -64.11 -37.3 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-N 118.645 0.657 . . . . 0.0 112.039 178.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 45.7 t -61.12 -46.73 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.137 0.975 . . . . 0.0 110.428 175.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.32 -31.37 72.5 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.749 1.219 . . . . 0.0 111.942 175.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 7.7 t60 -67.84 -64.49 0.85 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.647 0.779 . . . . 0.0 110.262 176.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 13.1 t -54.18 -35.0 61.84 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 114.403 1.261 . . . . 0.0 114.403 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -75.01 -13.2 60.48 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 177.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -127.52 -5.94 5.32 Favored Glycine 0 CA--C 1.539 1.556 0 N-CA-C 116.836 1.494 . . . . 0.0 116.836 -177.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 48.9 t -59.72 154.02 19.02 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.169 1.485 . . . . 0.0 112.774 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.14 0.14 23.2 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 127.41 2.284 . . . . 0.0 113.954 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -119.03 -56.58 2.09 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.903 1.681 . . . . 0.0 111.491 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 45.5 mtpt 52.98 -173.78 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.148 2.179 . . . . 0.0 113.934 -178.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 15.0 p -59.02 -25.77 63.96 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 120.439 -1.413 . . . . 0.0 112.73 176.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 37.3 t30 -58.95 -39.42 81.6 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.071 1.349 . . . . 0.0 111.823 175.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -98.89 -5.33 56.53 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 125.529 1.538 . . . . 0.0 114.082 177.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 94.47 17.66 38.48 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 125.652 1.596 . . . . 0.0 116.013 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 12.1 t -54.67 112.96 4.56 Favored Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 125.427 1.491 . . . . 0.0 112.553 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -55.62 -42.07 71.39 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.912 3.075 . . . . 0.0 114.876 -177.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 41.3 t -61.44 -54.2 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.607 0.763 . . . . 0.0 110.878 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 47.7 m -56.96 -44.62 82.78 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.545 1.138 . . . . 0.0 110.731 177.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -50.69 72.46 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.779 1.231 . . . . 0.0 110.198 175.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -53.79 -45.42 70.7 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.693 1.197 . . . . 0.0 112.02 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.35 -51.02 63.32 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.815 0.734 . . . . 0.0 110.981 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 65.9 mt -60.76 -32.07 51.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 124.427 1.091 . . . . 0.0 111.452 178.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -59.95 -55.11 38.08 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.94 1.296 . . . . 0.0 110.206 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.13 -38.81 90.36 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.472 -0.768 . . . . 0.0 111.565 176.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 72.1 m -61.4 -38.15 86.05 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 118.932 0.787 . . . . 0.0 111.301 173.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 43.2 t -66.44 -48.6 69.44 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.675 1.19 . . . . 0.0 111.036 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 37.6 t80 -57.02 -43.61 82.04 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.012 0.525 . . . . 0.0 110.669 175.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 37.0 t60 -58.59 -58.16 9.79 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.747 0.819 . . . . 0.0 109.808 175.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -52.46 -34.39 48.82 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.92 1.688 . . . . 0.0 114.691 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -56.9 -46.54 81.87 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.988 1.715 . . . . 0.0 111.038 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 49.5 m80 -90.14 -25.24 20.8 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.526 1.93 . . . . 0.0 114.685 -178.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1834 ' ' CYS . . . . . 0.483 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 8.7 t -64.88 164.08 13.16 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.456 1.502 . . . . 0.0 113.694 -178.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -149.02 -5.84 0.39 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.066 1.746 . . . . 0.0 115.196 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -76.01 111.37 11.33 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 120.959 -1.088 . . . . 0.0 111.485 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -59.4 -11.06 3.74 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 116.289 1.959 . . . . 0.0 116.289 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -133.11 27.46 4.19 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.291 2.236 . . . . 0.0 113.064 -178.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 15.0 t -48.49 134.53 13.15 Favored Pre-proline 0 CA--C 1.559 1.302 0 C-N-CA 126.662 1.985 . . . . 0.0 113.123 -178.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -66.68 -21.71 51.4 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 123.796 2.997 . . . . 0.0 115.722 -177.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 75.6 t -64.73 119.4 57.27 Favored Pre-proline 0 N--CA 1.477 0.89 0 CA-C-N 119.599 1.09 . . . . 0.0 110.331 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -47.03 -56.54 2.95 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 124.663 3.575 . . . . 0.0 116.572 -176.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -79.72 -19.02 49.82 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.789 1.404 . . . . 0.0 114.789 -176.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 52.5 t -45.95 -68.86 0.16 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.646 1.578 . . . . 0.0 112.68 -177.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 59.5 mt -54.32 -36.16 63.45 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.239 1.416 . . . . 0.0 113.655 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -63.91 -49.11 73.93 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.463 0.705 . . . . 0.0 110.227 175.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 8.3 mm -59.66 -46.55 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-O 118.562 -0.732 . . . . 0.0 110.473 175.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1848 ' ' LYS . . . . . 0.483 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 69.2 mttt -51.78 -47.27 64.26 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 119.666 1.121 . . . . 0.0 110.992 177.033 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 48.0 t60 -57.68 -49.41 76.6 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.498 0.719 . . . . 0.0 110.805 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -58.06 -40.98 82.36 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 118.735 0.698 . . . . 0.0 111.78 177.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.64 -39.56 91.76 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.455 1.502 . . . . 0.0 112.062 176.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -76.07 -27.6 57.3 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 118.974 0.806 . . . . 0.0 112.625 176.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -67.08 -13.26 61.76 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.552 1.141 . . . . 0.0 113.286 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -66.41 -21.03 66.21 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.806 1.242 . . . . 0.0 113.231 177.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 . . . . . 0 CA--C 1.541 0.6 0 C-N-CA 125.167 1.387 . . . . 0.0 111.955 179.392 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 78.2 p . . . . . 0 N--CA 1.471 0.594 0 N-CA-C 114.128 1.158 . . . . 0.0 114.128 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -71.51 -0.26 10.08 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.957 1.703 . . . . 0.0 115.114 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 25.1 mmt -72.86 13.85 0.34 Allowed 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 127.332 2.253 . . . . 0.0 115.387 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -145.09 136.66 12.78 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 126.574 1.95 . . . . 0.0 111.757 178.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -77.23 -93.16 0.01 OUTLIER 'Trans proline' 0 CA--C 1.546 1.086 0 C-N-CA 123.813 3.009 . . . . 0.0 110.729 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -162.54 170.49 18.53 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.254 1.822 . . . . 0.0 111.798 177.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -157.7 135.72 7.38 Favored Pre-proline 0 CA--C 1.549 0.904 0 C-N-CA 126.646 1.978 . . . . 0.0 109.542 176.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -64.74 -12.63 34.92 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.929 2.419 . . . . 0.0 115.547 -177.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -103.58 -7.2 20.98 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.091 1.356 . . . . 0.0 113.214 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -57.57 -35.51 70.47 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -172.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -59.25 -46.98 87.06 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.356 1.062 . . . . 0.0 110.588 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.15 -22.7 66.96 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.459 1.104 . . . . 0.0 113.35 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 38.5 t -79.92 -50.73 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-N 119.06 0.845 . . . . 0.0 109.175 175.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 37.4 m -54.78 -39.2 68.17 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.144 1.377 . . . . 0.0 114.698 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -63.2 -24.78 68.03 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 119.337 0.971 . . . . 0.0 113.1 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 7.4 mt -90.07 -53.58 8.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 125.981 1.712 . . . . 0.0 109.419 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -151.52 101.61 2.93 Favored Pre-proline 0 CA--C 1.551 1.008 0 C-N-CA 127.147 2.179 . . . . 0.0 111.343 179.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -76.1 172.01 17.06 Favored 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 122.46 2.107 . . . . 0.0 110.595 176.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -69.43 -22.02 63.7 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 120.699 -1.25 . . . . 0.0 112.989 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 18.1 m -71.59 -46.88 58.04 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.956 1.702 . . . . 0.0 114.823 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.8 m -144.9 159.36 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 125.213 1.405 . . . . 0.0 112.978 -177.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 48.1 tpp -80.3 65.08 5.33 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.33 1.052 . . . . 0.0 110.857 175.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 56.2 tp -55.71 -25.15 38.69 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.132 1.373 . . . . 0.0 113.202 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.41 -18.6 51.87 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.287 1.035 . . . . 0.0 113.339 175.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 1.8 p -71.62 -13.16 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.243 1.017 . . . . 0.0 112.627 176.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -132.64 -25.34 1.9 Allowed 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -73.72 124.1 25.37 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.026 -1.046 . . . . 0.0 113.102 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -85.96 93.72 1.88 Allowed Glycine 0 CA--C 1.532 1.137 0 C-N-CA 125.354 1.454 . . . . 0.0 111.923 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 7.3 mm -67.83 103.26 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.999 1.32 . . . . 0.0 111.73 -176.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -74.52 61.05 0.91 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.914 2.086 . . . . 0.0 113.225 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 tt -56.02 -28.07 55.79 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.623 1.169 . . . . 0.0 111.712 176.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.408 ' HG ' ' H ' ' B' ' 81' ' ' LEU . 18.5 mt -47.62 -18.92 0.16 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 129.609 3.164 . . . . 0.0 113.586 175.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.0 t -61.68 -19.3 62.19 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 127.173 2.189 . . . . 0.0 113.705 175.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -62.43 152.4 80.12 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 124.329 1.052 . . . . 0.0 112.244 178.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -70.46 121.96 8.47 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 122.753 2.302 . . . . 0.0 111.077 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -70.97 -24.16 24.47 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.764 2.309 . . . . 0.0 113.175 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -153.47 153.87 29.75 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 126.937 2.095 . . . . 0.0 110.214 177.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -71.87 -15.13 29.75 Favored 'Trans proline' 0 CA--C 1.543 0.969 0 C-N-CA 123.152 2.568 . . . . 0.0 113.79 179.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.93 18.42 57.34 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 126.26 1.886 . . . . 0.0 114.897 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 95.9 p -68.95 160.26 78.97 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-N 118.689 1.245 . . . . 0.0 111.545 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -61.07 -25.22 80.93 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 122.185 1.923 . . . . 0.0 115.278 -178.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 . . . . . 0 N--CA 1.47 0.539 0 C-N-CA 125.118 1.367 . . . . 0.0 111.345 179.84 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 CA--C 1.544 0.718 0 CA-C-O 119.49 -0.291 . . . . 0.0 111.629 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -49.84 -44.99 34.2 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 124.708 3.605 . . . . 0.0 115.108 -178.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -63.6 -50.78 68.07 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.885 1.274 . . . . 0.0 111.41 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.73 -41.59 99.24 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.496 0.718 . . . . 0.0 111.609 178.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 58.8 m -55.82 -46.47 78.09 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.807 0.843 . . . . 0.0 110.814 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 68.3 mtt85 -65.3 -47.87 75.09 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.731 1.212 . . . . 0.0 111.364 175.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 34.7 ttm105 -58.66 -35.15 72.1 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.588 1.555 . . . . 0.0 112.908 178.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 71.7 mt -76.88 -40.62 46.88 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.244 1.017 . . . . 0.0 110.908 175.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 62.8 m -65.81 -49.64 67.51 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.697 0.799 . . . . 0.0 112.28 178.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 16.0 tt -56.49 -49.44 77.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.195 1.398 . . . . 0.0 112.437 -179.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -63.91 -37.57 87.89 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 118.992 0.815 . . . . 0.0 112.287 178.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -61.24 -51.96 66.74 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.839 1.256 . . . . 0.0 110.703 175.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 85.7 m -57.83 -40.86 81.06 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.748 0.819 . . . . 0.0 111.206 176.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 42.2 mt -60.99 -31.3 49.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 O-C-N 121.292 -0.88 . . . . 0.0 112.525 177.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -63.56 -44.72 93.3 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 120.49 1.495 . . . . 0.0 110.084 174.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 34.8 m -63.53 -35.93 82.12 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.412 1.085 . . . . 0.0 111.881 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 57.7 tp -61.62 -44.84 96.25 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.902 1.281 . . . . 0.0 111.051 176.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 59.0 t -59.66 -50.57 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-O 118.454 -0.784 . . . . 0.0 109.454 175.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 38.3 t60 -53.48 -57.0 12.27 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.316 0.962 . . . . 0.0 111.032 177.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -55.38 -36.11 66.01 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 8.9 p -73.54 -15.8 61.29 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -114.4 -13.74 12.24 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.067 1.347 . . . . 0.0 114.229 178.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 12.5 t -64.04 113.45 3.51 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.472 1.509 . . . . 0.0 111.554 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -3.01 19.76 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 116.32 1.97 . . . . 0.0 116.32 -176.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 30.5 t30 -137.13 111.04 8.21 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.835 1.198 . . . . 0.0 112.055 -178.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.39 -15.05 14.38 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 178.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -91.98 6.54 45.93 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 126.294 1.838 . . . . 0.0 113.503 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 53.7 t -45.39 130.34 8.4 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 127.144 2.178 . . . . 0.0 112.179 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 14.8 m -66.78 -6.08 14.6 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 116.388 1.996 . . . . 0.0 116.388 -174.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 15.7 tp -78.38 124.04 85.65 Favored Pre-proline 0 CA--C 1.55 0.968 0 CA-C-N 120.308 1.413 . . . . 0.0 111.651 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -50.61 -42.59 49.2 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 123.478 2.785 . . . . 0.0 114.911 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 49.9 m -72.16 -37.24 69.4 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -178.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 38.5 t -59.2 -51.48 69.83 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.585 1.154 . . . . 0.0 108.977 175.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -50.3 -49.23 54.22 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.414 1.486 . . . . 0.0 112.051 175.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 83.2 mttt -60.74 -50.09 74.86 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.948 1.299 . . . . 0.0 111.621 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -40.82 81.82 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.096 0.958 . . . . 0.0 112.494 176.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -53.56 -39.96 65.18 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.909 0.884 . . . . 0.0 112.316 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -60.8 -56.31 22.68 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 119.261 0.937 . . . . 0.0 112.002 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 26.9 m -66.46 -36.75 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 3.0 p -67.83 -40.01 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 119.966 1.257 . . . . 0.0 110.939 177.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -63.05 -29.89 71.17 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.637 0.775 . . . . 0.0 111.595 174.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.7 t60 -67.43 -67.59 0.45 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.54 0.736 . . . . 0.0 109.596 174.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 6.2 t -55.75 -33.93 64.75 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 115.016 1.488 . . . . 0.0 115.016 -174.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.83 -15.79 62.67 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 178.005 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -125.17 -9.04 5.28 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 125.284 1.421 . . . . 0.0 116.178 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 52.4 t -56.88 137.07 55.65 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.654 1.582 . . . . 0.0 112.048 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -91.09 -1.08 57.83 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.932 1.693 . . . . 0.0 113.002 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -115.16 -58.97 2.07 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.182 1.793 . . . . 0.0 111.959 -179.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 46.9 mtpt 53.8 -176.55 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.493 2.317 . . . . 0.0 114.213 -177.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 20.0 p -54.67 -40.55 69.21 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.014 1.325 . . . . 0.0 113.166 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -62.2 -21.05 64.81 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.247 1.019 . . . . 0.0 113.582 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -105.3 -2.99 41.42 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 125.989 1.757 . . . . 0.0 113.57 176.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 94.82 10.46 57.67 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.773 1.654 . . . . 0.0 116.061 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 14.0 t -59.28 120.9 52.0 Favored Pre-proline 0 CA--C 1.551 1.015 0 CA-C-N 119.421 1.61 . . . . 0.0 111.935 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -69.01 -40.48 6.43 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.815 2.343 . . . . 0.0 114.206 -177.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 61.2 t -58.06 -56.31 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 119.808 1.186 . . . . 0.0 111.361 -178.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 37.0 m -52.07 -45.6 64.84 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.378 1.471 . . . . 0.0 111.149 178.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.43 -49.35 77.61 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.101 1.36 . . . . 0.0 110.931 176.57 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -60.43 -39.66 88.25 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.089 0.859 . . . . 0.0 112.144 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.85 -50.06 70.32 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-O 121.414 0.626 . . . . 0.0 110.286 176.461 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 62.3 mt -61.34 -29.98 47.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 125.207 1.403 . . . . 0.0 112.283 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -57.43 -47.16 82.51 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 120.029 1.286 . . . . 0.0 111.244 175.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 9.1 mp -67.62 -40.98 84.67 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.976 0.91 . . . . 0.0 110.93 175.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 74.6 m -58.79 -40.91 85.41 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 122.818 0.447 . . . . 0.0 110.989 175.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 44.6 t -64.71 -50.78 65.61 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.3 1.44 . . . . 0.0 111.212 176.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 47.2 t80 -56.39 -42.4 77.87 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.702 0.801 . . . . 0.0 111.257 176.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 41.7 t60 -61.65 -58.71 7.01 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.248 1.019 . . . . 0.0 110.192 174.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -53.17 -32.13 46.17 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.181 1.792 . . . . 0.0 114.827 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -56.5 -47.49 79.17 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.792 1.637 . . . . 0.0 110.922 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -90.12 -25.19 20.84 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.448 1.499 . . . . 0.0 114.385 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 17.8 t -66.07 161.81 20.88 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.963 1.305 . . . . 0.0 113.526 -179.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.59 -0.03 0.56 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 127.199 2.2 . . . . 0.0 114.504 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -68.11 114.33 6.53 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.747 -1.221 . . . . 0.0 111.087 178.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 31.5 t30 -62.99 -17.93 62.71 Favored 'General case' 0 CA--C 1.551 1.015 0 O-C-N 120.594 -1.316 . . . . 0.0 113.754 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 96.7 mttt -131.52 32.97 4.1 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 127.176 2.19 . . . . 0.0 113.05 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 5.7 t -45.75 135.33 6.28 Favored Pre-proline 0 CA--C 1.554 1.126 0 C-N-CA 126.365 1.866 . . . . 0.0 112.451 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -64.02 -23.78 67.37 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 122.693 2.262 . . . . 0.0 114.327 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1841 ' ' VAL . . . . . 0.412 HG12 ' H ' ' A' 1844 ' ' CYS . 87.4 t -71.3 120.36 79.2 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 124.787 1.235 . . . . 0.0 109.183 176.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -65.65 -41.87 13.71 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.817 2.344 . . . . 0.0 114.089 -176.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -71.42 -30.0 65.55 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 179.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1844 ' ' CYS . . . . . 0.412 ' H ' HG12 ' A' 1841 ' ' VAL . 38.3 t -49.87 -65.89 0.49 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.109 1.364 . . . . 0.0 110.949 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 69.4 mt -51.21 -40.66 59.23 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.506 1.522 . . . . 0.0 113.734 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -62.35 -50.01 73.29 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.187 0.595 . . . . 0.0 109.953 176.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 8.3 mm -59.87 -47.01 93.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-O 118.77 -0.633 . . . . 0.0 110.425 175.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -53.58 -45.84 70.11 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.789 1.177 . . . . 0.0 111.073 177.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 55.2 t60 -57.34 -51.57 68.84 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.677 0.791 . . . . 0.0 110.669 176.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 14.2 mptt -54.63 -47.39 73.54 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.414 1.086 . . . . 0.0 111.502 175.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 5.8 mp -61.77 -50.32 72.85 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.371 1.869 . . . . 0.0 113.412 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -71.28 -23.03 61.89 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 118.803 0.729 . . . . 0.0 112.716 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -74.7 -11.9 60.29 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.076 1.35 . . . . 0.0 113.184 177.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -61.56 -16.61 49.5 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 178.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.585 0 C-N-CA 126.303 1.841 . . . . 0.0 113.175 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 CA--C 1.542 0.638 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -70.32 -15.53 62.89 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.435 1.494 . . . . 0.0 114.118 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 28.1 ptm -148.62 168.91 21.56 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.457 1.903 . . . . 0.0 111.851 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.68 128.62 93.94 Favored Pre-proline 0 CA--C 1.55 0.959 0 C-N-CA 123.866 0.866 . . . . 0.0 111.428 177.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -73.91 -88.11 0.0 OUTLIER 'Trans proline' 0 CA--C 1.544 1.013 0 C-N-CA 123.489 2.793 . . . . 0.0 111.212 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -165.87 172.07 12.03 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.773 2.029 . . . . 0.0 111.164 177.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -152.62 133.03 7.53 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 126.158 1.783 . . . . 0.0 109.54 175.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -65.91 -15.61 49.53 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 122.775 2.317 . . . . 0.0 115.342 -177.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -95.13 -12.07 27.1 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.671 1.189 . . . . 0.0 112.977 178.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -59.48 -30.53 68.61 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -174.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.36 -38.18 90.14 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.549 1.14 . . . . 0.0 111.307 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.4 -50.88 23.26 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.427 1.091 . . . . 0.0 110.271 176.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 59.4 t -55.37 -42.99 69.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 123.674 0.79 . . . . 0.0 111.815 178.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 70.9 m -53.76 -39.48 65.41 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -73.36 -17.71 61.25 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.698 1.135 . . . . 0.0 113.124 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 7.5 mt -90.05 -57.36 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.59 1.156 . . . . 0.0 109.212 175.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -151.88 101.32 2.86 Favored Pre-proline 0 CA--C 1.551 1.019 0 C-N-CA 126.828 2.051 . . . . 0.0 111.45 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -74.36 175.14 11.39 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 122.846 2.364 . . . . 0.0 111.109 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -75.1 -18.3 60.29 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.634 -1.291 . . . . 0.0 113.128 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 25.5 p -74.11 -51.07 16.79 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.19 1.796 . . . . 0.0 113.781 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 32.8 m -139.82 157.06 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.68 1.592 . . . . 0.0 112.817 -178.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 42.8 ttm -82.12 62.07 5.69 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.579 1.152 . . . . 0.0 110.502 176.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 65.5 tp -47.57 -29.99 3.27 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.264 2.226 . . . . 0.0 114.326 -177.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.85 -19.55 18.1 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.51 1.124 . . . . 0.0 113.968 176.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.7 p -72.15 -20.02 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.054 0.942 . . . . 0.0 112.803 176.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -126.1 -18.48 5.01 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -178.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -120.53 111.24 17.43 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.581 1.552 . . . . 0.0 110.612 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.0 163.32 31.75 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.291 0.948 . . . . 0.0 114.375 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 38.4 mt -101.8 105.64 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 127.078 2.151 . . . . 0.0 108.28 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -75.01 65.4 1.44 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.464 1.106 . . . . 0.0 113.175 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 38.7 tp -57.96 -7.34 0.74 Allowed 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 127.74 2.416 . . . . 0.0 113.811 177.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 14.5 mt -81.4 -20.21 40.93 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.886 2.074 . . . . 0.0 113.581 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.7 t -74.45 -13.29 60.68 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.277 1.031 . . . . 0.0 113.156 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -68.97 153.89 95.61 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 126.508 1.923 . . . . 0.0 113.361 -178.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -70.88 162.52 42.37 Favored 'Trans proline' 0 CA--C 1.547 1.154 0 C-N-CA 123.246 2.631 . . . . 0.0 112.016 177.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -69.31 -22.58 33.96 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.123 2.549 . . . . 0.0 113.813 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -151.17 153.8 33.19 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 126.185 1.794 . . . . 0.0 110.941 178.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -74.5 -15.44 22.06 Favored 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 123.26 2.64 . . . . 0.0 113.901 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -79.85 71.75 2.68 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 125.636 1.589 . . . . 0.0 113.306 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 90.8 p -70.13 156.86 91.13 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 125.218 1.407 . . . . 0.0 111.538 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -74.02 -9.05 21.85 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 122.628 2.218 . . . . 0.0 114.349 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 . . . . . 0 C--O 1.239 0.537 0 C-N-CA 125.507 1.523 . . . . 0.0 111.854 179.844 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 73.1 m . . . . . 0 CA--C 1.542 0.639 0 CA-C-O 119.267 -0.397 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -64.1 -45.17 10.63 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.819 2.346 . . . . 0.0 112.562 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -59.73 -45.33 92.52 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.592 0.757 . . . . 0.0 111.068 177.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -59.65 -48.92 79.78 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.55 0.74 . . . . 0.0 110.673 175.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 53.3 m -56.3 -46.66 79.7 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.199 0.999 . . . . 0.0 111.698 177.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -61.46 -53.24 59.09 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.721 1.208 . . . . 0.0 111.099 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 44.4 ttp85 -52.8 -46.58 67.73 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.367 1.467 . . . . 0.0 112.091 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.73 -43.23 84.76 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.323 0.649 . . . . 0.0 111.043 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 69.4 m -59.52 -45.99 90.16 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.499 0.72 . . . . 0.0 111.44 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 62.7 mt -54.28 -63.68 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 126.218 1.807 . . . . 0.0 110.282 177.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -60.61 -35.65 76.67 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -177.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 83.5 mmt-85 -64.94 -53.66 42.93 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.112 0.869 . . . . 0.0 110.538 175.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 33.5 t -61.05 -27.99 68.74 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.559 0.743 . . . . 0.0 112.567 177.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 32.6 mt -65.31 -28.54 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 O-C-N 120.493 -1.38 . . . . 0.0 111.442 175.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -63.54 -44.38 94.38 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.651 -1.28 . . . . 0.0 109.539 174.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 1.5 m -59.88 -42.1 93.01 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.476 1.91 . . . . 0.0 110.79 175.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 5.9 tt -58.58 -56.0 27.74 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.662 1.985 . . . . 0.0 110.429 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 99.2 t -55.58 -51.53 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.718 0.807 . . . . 0.0 110.567 177.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 35.5 t60 -53.07 -56.29 17.32 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.43 0.692 . . . . 0.0 111.434 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -55.67 -31.66 62.57 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 95.6 m -75.54 -14.29 60.4 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 177.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -118.34 -14.8 9.76 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.986 1.314 . . . . 0.0 114.163 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 9.6 t -66.68 121.46 15.45 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.141 1.376 . . . . 0.0 111.663 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -75.3 -8.54 56.91 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.325 1.85 . . . . 0.0 115.462 -177.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 30.3 t30 -137.34 114.25 10.59 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.886 1.221 . . . . 0.0 113.28 -176.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.79 -16.23 26.5 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -91.23 9.02 33.0 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.269 1.828 . . . . 0.0 113.335 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 47.4 t -47.92 138.54 8.77 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.105 2.162 . . . . 0.0 111.714 178.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 81.0 p -72.93 -10.35 59.7 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 115.494 1.665 . . . . 0.0 115.494 -177.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 26.9 tp -74.09 120.24 80.34 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-N 121.016 1.734 . . . . 0.0 112.339 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -49.82 -42.08 45.1 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 123.393 2.729 . . . . 0.0 113.778 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.6 -49.18 78.43 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.307 1.043 . . . . 0.0 112.208 177.263 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 38.0 t -58.34 -55.24 37.51 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.793 1.637 . . . . 0.0 109.921 177.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -48.89 -55.46 11.69 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.449 1.5 . . . . 0.0 112.799 178.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 89.0 mttt -59.1 -50.35 74.41 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.749 1.22 . . . . 0.0 111.808 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 53.3 tpp -60.0 -42.58 94.56 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.194 1.397 . . . . 0.0 113.245 179.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -49.04 -44.18 41.33 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.049 1.34 . . . . 0.0 113.152 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -57.16 -47.95 79.92 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.72 0.808 . . . . 0.0 111.845 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 5.1 t -69.49 -40.31 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.387 1.075 . . . . 0.0 111.74 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 54.1 t -59.49 -44.97 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.046 0.939 . . . . 0.0 109.947 175.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -66.47 -29.65 69.81 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.229 1.011 . . . . 0.0 112.281 176.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 10.6 t60 -71.56 -62.36 1.44 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.92 0.888 . . . . 0.0 110.669 176.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 5.3 t -54.75 -33.85 61.74 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -175.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -71.62 -10.04 59.16 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 178.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -137.58 1.62 2.96 Favored Glycine 0 CA--C 1.538 1.498 0 N-CA-C 117.046 1.578 . . . . 0.0 117.046 -177.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 46.2 t -58.78 141.58 52.61 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.356 1.578 . . . . 0.0 113.091 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -82.25 -8.45 59.64 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.296 1.839 . . . . 0.0 112.775 179.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 72.2 mtt-85 -117.82 -57.09 2.14 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.623 1.969 . . . . 0.0 112.138 178.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1812 ' ' LYS . . . . . 0.411 ' HA ' ' SG ' ' A' 1820 ' ' CYS 0.354 53.7 pttt 52.78 -168.56 0.05 OUTLIER 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.976 2.11 . . . . 0.0 112.719 -169.923 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 60.0 p -49.55 -52.95 26.35 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.097 1.359 . . . . 0.0 113.843 -177.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -66.95 -18.31 65.32 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -94.01 2.46 69.08 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 125.583 1.563 . . . . 0.0 113.516 177.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 85.15 6.94 84.0 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 125.657 1.599 . . . . 0.0 115.841 178.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 45.2 t -66.55 118.74 56.94 Favored Pre-proline 0 CA--C 1.555 1.162 0 CA-C-N 119.117 1.458 . . . . 0.0 111.088 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.58 -32.66 14.8 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.878 2.386 . . . . 0.0 113.666 -177.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 47.2 t -54.13 -60.13 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.057 1.343 . . . . 0.0 110.273 179.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1820 ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' 1812 ' ' LYS . 36.4 m -56.22 -45.52 79.89 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.538 1.535 . . . . 0.0 110.891 177.305 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -45.26 71.11 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 117.466 -1.254 . . . . 0.0 112.913 178.092 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -58.79 -55.14 38.9 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 120.568 1.531 . . . . 0.0 111.974 177.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 15.9 tp -62.34 -48.25 80.62 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.004 0.922 . . . . 0.0 112.015 -179.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 45.9 mm -64.11 -36.19 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 O-C-N 121.066 -1.021 . . . . 0.0 111.488 177.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -59.91 -47.06 87.32 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 120.48 1.491 . . . . 0.0 111.309 175.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 7.3 mp -62.27 -40.67 97.01 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.344 0.657 . . . . 0.0 110.664 175.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 24.4 t -60.61 -40.26 91.2 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.687 -0.633 . . . . 0.0 111.159 174.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 96.3 m -62.46 -46.9 86.42 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.242 -0.911 . . . . 0.0 110.977 175.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 36.6 t80 -58.89 -42.31 89.23 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.53 0.732 . . . . 0.0 111.171 176.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 36.2 t60 -60.19 -59.85 4.76 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.147 0.979 . . . . 0.0 110.052 175.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -53.32 -33.46 53.48 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.058 1.743 . . . . 0.0 114.462 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -56.23 -46.58 79.5 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.84 1.656 . . . . 0.0 111.167 177.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 43.0 m80 -90.23 -24.53 20.95 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.443 1.897 . . . . 0.0 114.413 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1834 ' ' CYS . . . . . 0.455 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 8.9 t -63.98 160.41 17.91 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.441 1.496 . . . . 0.0 113.256 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -148.16 -4.19 0.48 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.812 1.645 . . . . 0.0 115.199 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -75.17 116.74 16.23 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.778 -1.201 . . . . 0.0 111.403 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 39.7 t30 -61.32 -17.16 52.42 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 -178.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -133.8 40.0 3.12 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 127.045 2.138 . . . . 0.0 112.633 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 19.2 t -51.93 137.06 36.45 Favored Pre-proline 0 CA--C 1.558 1.264 0 C-N-CA 126.062 1.745 . . . . 0.0 111.701 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -64.51 -21.72 65.81 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.468 2.779 . . . . 0.0 114.942 -177.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 98.9 t -69.82 122.63 86.57 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 124.331 1.052 . . . . 0.0 108.938 177.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -64.58 -45.75 8.38 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.856 2.37 . . . . 0.0 114.551 -175.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -74.3 -25.52 59.63 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.917 1.081 . . . . 0.0 113.917 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 49.4 t -46.26 -64.7 0.69 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.501 1.92 . . . . 0.0 112.183 -178.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 60.0 mt -53.93 -36.86 63.23 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.258 1.423 . . . . 0.0 113.396 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 53.9 t30 -65.04 -46.61 80.55 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.645 0.657 . . . . 0.0 110.296 175.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 10.2 mm -58.13 -48.12 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-O 118.798 -0.62 . . . . 0.0 110.076 176.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1848 ' ' LYS . . . . . 0.455 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 69.9 mttt -52.58 -48.24 66.34 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.465 1.029 . . . . 0.0 111.237 176.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 58.0 t60 -58.03 -48.28 80.56 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.095 0.958 . . . . 0.0 111.553 178.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 10.3 mptt -57.56 -48.12 80.21 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.704 1.602 . . . . 0.0 111.019 175.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 5.3 mp -56.35 -45.22 80.53 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.712 1.605 . . . . 0.0 111.746 176.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -59.93 -27.25 66.6 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.888 0.875 . . . . 0.0 113.274 178.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -69.09 -31.86 70.88 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.085 0.857 . . . . 0.0 111.367 175.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -76.0 -44.33 40.08 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.832 1.253 . . . . 0.0 110.766 176.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 . . . . . 0 CA--C 1.538 0.504 0 C-N-CA 125.882 1.673 . . . . 0.0 111.251 178.983 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 N--CA 1.468 0.453 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -63.83 -16.07 60.38 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.633 1.573 . . . . 0.0 114.444 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 21.5 ptt? -71.01 12.43 0.29 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 129.173 2.989 . . . . 0.0 116.28 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.27 136.04 91.28 Favored Pre-proline 0 CA--C 1.549 0.938 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 -175.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -82.55 -119.62 0.01 OUTLIER 'Trans proline' 0 CA--C 1.551 1.354 0 C-N-CA 124.296 3.33 . . . . 0.0 108.179 173.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -151.88 166.77 30.43 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.354 1.462 . . . . 0.0 111.64 175.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -155.48 150.23 20.37 Favored Pre-proline 0 CA--C 1.544 0.747 0 C-N-CA 126.628 1.971 . . . . 0.0 110.004 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -72.46 -13.38 27.68 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 122.372 2.048 . . . . 0.0 114.509 -176.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -83.01 -28.07 29.92 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -59.56 -29.21 67.77 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.406 1.082 . . . . 0.0 112.969 -177.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -62.37 -42.03 99.09 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.208 1.803 . . . . 0.0 110.84 176.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.13 -47.37 44.73 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.44 1.096 . . . . 0.0 110.526 174.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 83.5 t -52.94 -47.58 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.257 1.023 . . . . 0.0 110.997 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 69.0 m -50.62 -43.12 56.78 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.62 1.568 . . . . 0.0 114.968 -178.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -75.24 -13.66 60.46 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 14.1 mt -90.14 -52.67 10.27 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 C-N-CA 125.44 1.496 . . . . 0.0 108.338 173.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -158.03 110.21 1.75 Allowed Pre-proline 0 CA--C 1.554 1.106 0 C-N-CA 129.352 3.061 . . . . 0.0 112.709 176.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -79.78 175.76 10.19 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 123.12 2.547 . . . . 0.0 111.335 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -77.9 -27.25 49.53 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 120.864 -1.148 . . . . 0.0 113.002 178.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 17.6 m -66.56 -42.12 87.56 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.508 1.523 . . . . 0.0 114.698 -177.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 27.9 m -145.16 155.29 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.391 1.476 . . . . 0.0 112.273 -178.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 91.1 mmm -80.29 65.13 5.34 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.084 0.954 . . . . 0.0 110.821 175.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 42.2 tp -53.04 -25.55 12.88 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.718 1.607 . . . . 0.0 112.109 177.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.37 -30.09 17.69 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.486 1.914 . . . . 0.0 114.247 176.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 2.5 p -73.97 -8.89 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -133.53 12.83 4.12 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.182 1.793 . . . . 0.0 113.977 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -135.98 159.69 40.91 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.354 1.462 . . . . 0.0 112.142 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -142.18 171.56 24.54 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.638 1.589 . . . . 0.0 113.312 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 29.9 mm -118.95 127.93 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 126.024 1.73 . . . . 0.0 112.046 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -76.96 65.56 2.65 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.595 1.958 . . . . 0.0 110.857 175.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 62.0 tp -54.89 -25.96 32.56 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.631 1.572 . . . . 0.0 112.58 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.405 ' H ' ' HG ' ' B' ' 81' ' ' LEU . 16.8 mt -51.73 -20.67 2.24 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 128.759 2.823 . . . . 0.0 113.297 177.452 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.5 t -67.56 -10.12 48.91 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.567 1.947 . . . . 0.0 114.596 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -60.39 157.26 36.19 Favored Pre-proline 0 CA--C 1.553 1.061 0 C-N-CA 125.212 1.405 . . . . 0.0 113.665 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -67.3 119.6 6.62 Favored 'Trans proline' 0 CA--C 1.548 1.213 0 C-N-CA 123.218 2.612 . . . . 0.0 111.125 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -73.06 -10.41 24.5 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 123.503 2.802 . . . . 0.0 115.698 -176.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.78 141.43 85.13 Favored Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 124.322 1.049 . . . . 0.0 112.827 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -73.99 -16.72 22.82 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 123.478 2.785 . . . . 0.0 114.291 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 179.92 -177.4 48.05 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.389 1.471 . . . . 0.0 112.984 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 43.0 m -67.27 151.35 97.23 Favored Pre-proline 0 CA--C 1.544 0.72 0 C-N-CA 124.986 1.314 . . . . 0.0 111.428 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -74.74 -18.21 19.61 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 122.659 2.239 . . . . 0.0 114.86 -178.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 . . . . . 0 N--CA 1.476 0.853 0 C-N-CA 127.232 2.213 . . . . 0.0 113.92 -179.89 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 26.1 t . . . . . 0 CA--C 1.539 0.556 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -54.92 -26.3 48.15 Favored 'Trans proline' 0 CA--C 1.542 0.881 0 C-N-CA 123.008 2.472 . . . . 0.0 112.901 174.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -60.44 -26.37 66.68 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.038 1.735 . . . . 0.0 112.493 176.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -56.14 -50.26 71.62 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.256 0.935 . . . . 0.0 111.496 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 47.3 m -58.42 -39.94 81.13 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.716 0.806 . . . . 0.0 112.55 178.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -70.39 -48.57 55.59 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.654 1.182 . . . . 0.0 110.979 178.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -60.52 -31.81 70.87 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.317 1.847 . . . . 0.0 111.998 175.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 41.2 mt -75.83 -43.48 45.78 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.341 1.056 . . . . 0.0 110.4 174.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 59.5 m -62.85 -47.02 85.2 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.233 -0.917 . . . . 0.0 112.725 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 19.6 tt -57.32 -51.36 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 O-C-N 121.135 -0.978 . . . . 0.0 111.572 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -64.55 -33.1 75.11 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.078 0.853 . . . . 0.0 112.868 178.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -66.08 -51.23 60.03 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.17 0.988 . . . . 0.0 110.82 175.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 37.1 t -57.24 -37.0 71.63 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 119.032 0.833 . . . . 0.0 111.145 175.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 35.4 mt -60.86 -27.35 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 C-N-CA 124.334 1.054 . . . . 0.0 112.629 175.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -65.2 -45.79 83.34 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.506 1.503 . . . . 0.0 109.826 173.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 16.4 m -58.69 -40.35 83.37 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.065 1.346 . . . . 0.0 111.115 174.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 62.3 tp -59.52 -53.21 60.71 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.97 1.308 . . . . 0.0 110.669 175.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 83.0 t -55.67 -50.79 65.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.652 177.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 36.3 t60 -52.63 -57.71 9.17 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.986 0.812 . . . . 0.0 111.126 178.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.66 -28.53 63.84 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 85.4 m -77.66 -16.29 58.62 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 176.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -114.49 -16.42 11.91 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 10.2 t -64.16 130.06 42.43 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.979 1.712 . . . . 0.0 111.926 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.94 -10.68 59.8 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.744 1.618 . . . . 0.0 115.123 -177.199 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 33.4 t30 -136.77 113.51 10.29 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.434 1.094 . . . . 0.0 113.324 -175.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -57.68 -17.31 14.21 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 177.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -87.52 -1.15 57.74 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.438 1.495 . . . . 0.0 113.917 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 52.3 t -46.85 113.06 0.59 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 127.191 2.196 . . . . 0.0 111.378 178.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 91.9 p -67.34 -3.36 7.94 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 116.705 2.113 . . . . 0.0 116.705 -173.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 19.1 tp -61.71 122.32 70.56 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.306 1.443 . . . . 0.0 110.369 178.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -47.92 -40.86 32.94 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.534 2.823 . . . . 0.0 114.681 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 23.6 m -59.11 -53.21 60.88 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.161 1.385 . . . . 0.0 111.839 176.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 5.4 t -61.21 -53.68 53.87 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.286 1.834 . . . . 0.0 110.344 178.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -44.91 -60.4 2.07 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.4 1.88 . . . . 0.0 112.109 176.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 89.2 mttt -57.43 -56.74 18.0 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.1 0.96 . . . . 0.0 111.272 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 45.5 tpp -56.16 -39.11 71.81 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.677 1.191 . . . . 0.0 113.953 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -53.38 -41.12 65.57 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.055 -1.028 . . . . 0.0 113.02 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -56.93 -51.76 67.89 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 119.338 0.972 . . . . 0.0 111.971 178.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 30.5 m -71.72 -32.23 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 24.3 t -62.22 -46.79 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 O-C-N 121.19 -0.944 . . . . 0.0 109.838 174.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -62.98 -25.61 68.45 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.243 1.017 . . . . 0.0 112.366 175.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 13.2 t60 -71.67 -64.69 0.88 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.919 0.888 . . . . 0.0 110.765 175.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 14.9 t -54.06 -35.34 61.93 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -175.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -70.93 -11.65 61.09 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.911 1.448 . . . . 0.0 114.911 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -128.22 -10.49 3.39 Favored Glycine 0 CA--C 1.541 1.667 0 C-N-CA 125.277 1.418 . . . . 0.0 116.337 -178.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 45.9 t -57.69 131.82 51.4 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 119.189 1.494 . . . . 0.0 112.102 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -81.61 -6.5 59.06 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.034 1.734 . . . . 0.0 114.823 -176.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -127.66 -36.8 2.02 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 28.8 mtmm 48.93 -159.85 0.05 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.69 1.996 . . . . 0.0 113.699 -178.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 37.7 p -58.22 -30.06 66.2 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.889 1.275 . . . . 0.0 112.69 176.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 35.4 t30 -59.2 -41.49 88.67 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.816 1.246 . . . . 0.0 111.613 176.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -90.02 -2.53 74.55 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 125.524 1.535 . . . . 0.0 113.813 175.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 88.12 19.0 54.7 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 125.802 1.668 . . . . 0.0 116.094 177.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 8.0 t -57.36 114.47 8.29 Favored Pre-proline 0 CA--C 1.554 1.109 0 CA-C-N 119.109 1.454 . . . . 0.0 113.161 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.83 -41.95 72.13 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 124.0 3.133 . . . . 0.0 114.701 -178.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 31.8 t -58.5 -54.63 30.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 124.115 0.966 . . . . 0.0 110.45 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 34.0 m -59.01 -45.77 89.85 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.431 1.492 . . . . 0.0 110.405 177.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1821 ' ' LYS . . . . . 0.426 ' O ' ' HE2' ' A' 1821 ' ' LYS . 0.0 OUTLIER -54.63 -47.67 73.18 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.394 1.078 . . . . 0.0 110.597 176.39 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -54.74 -49.2 71.39 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.051 0.841 . . . . 0.0 111.472 176.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1823 ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' 1823 ' ' LEU . 28.5 mt -64.39 -43.44 94.46 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 119.162 -0.447 . . . . 0.0 111.887 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 27.4 mm -66.1 -35.2 74.46 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 119.072 0.851 . . . . 0.0 111.291 175.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -61.3 -54.31 45.52 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.682 1.193 . . . . 0.0 111.256 176.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 8.6 mp -64.26 -38.36 90.78 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.25 0.62 . . . . 0.0 111.034 177.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 42.8 t -60.68 -44.6 96.29 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.603 -0.686 . . . . 0.0 111.072 174.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 42.1 t -58.37 -51.23 70.67 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.211 1.004 . . . . 0.0 110.554 176.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 29.8 t80 -56.31 -45.61 80.19 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.528 0.731 . . . . 0.0 111.4 176.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 42.6 t60 -58.66 -60.02 4.48 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.876 0.87 . . . . 0.0 110.556 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -55.58 -30.24 60.5 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.172 1.789 . . . . 0.0 114.589 -178.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -57.37 -45.36 84.52 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.578 1.551 . . . . 0.0 110.764 176.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 43.7 m80 -89.87 -29.74 18.37 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.649 1.98 . . . . 0.0 114.371 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 26.8 t -64.18 155.55 31.37 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.601 1.561 . . . . 0.0 113.721 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -143.56 1.48 1.19 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 127.397 2.279 . . . . 0.0 113.497 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.49 122.34 19.49 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 120.389 -1.444 . . . . 0.0 111.366 -178.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 33.6 t30 -64.64 -25.64 68.04 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -129.73 35.08 4.22 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.347 2.259 . . . . 0.0 112.243 -178.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 7.2 t -45.43 131.99 6.1 Favored Pre-proline 0 CA--C 1.555 1.143 0 C-N-CA 126.367 1.867 . . . . 0.0 112.787 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -64.39 -23.19 65.44 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.285 2.657 . . . . 0.0 115.102 -177.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 88.6 t -66.54 115.89 28.8 Favored Pre-proline 0 N--CA 1.476 0.873 0 C-N-CA 124.853 1.261 . . . . 0.0 109.615 177.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -48.2 -52.27 8.62 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 124.351 3.367 . . . . 0.0 116.383 -176.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -80.74 -20.07 43.58 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -177.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 42.0 t -48.0 -63.09 1.16 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.419 1.487 . . . . 0.0 112.46 -177.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 58.2 mt -54.57 -36.02 63.92 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.325 1.05 . . . . 0.0 113.465 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 54.3 t30 -64.53 -46.73 81.6 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.869 0.759 . . . . 0.0 109.987 175.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 8.5 mm -59.25 -50.03 81.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 175.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -54.21 -44.37 71.57 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 119.284 0.947 . . . . 0.0 111.599 177.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 59.6 t60 -60.41 -48.48 81.56 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.031 0.932 . . . . 0.0 111.323 177.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 9.4 mptt -57.56 -46.26 84.17 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.785 1.634 . . . . 0.0 111.14 175.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 6.5 mp -58.93 -40.43 84.55 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.156 1.382 . . . . 0.0 112.076 176.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 54.0 mmm-85 -64.92 -15.62 62.29 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 176.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -80.83 -6.31 58.41 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.325 0.966 . . . . 0.0 113.396 177.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -131.04 177.03 7.76 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.202 1.801 . . . . 0.0 112.583 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 11.8 pt20 . . . . . 0 N--CA 1.472 0.662 0 C-N-CA 124.739 1.216 . . . . 0.0 113.22 179.396 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 43.2 m . . . . . 0 N--CA 1.47 0.569 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -67.83 -17.66 64.58 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.419 1.488 . . . . 0.0 114.101 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -147.4 163.19 37.26 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.391 1.877 . . . . 0.0 111.618 178.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.53 141.1 92.77 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 124.139 0.975 . . . . 0.0 112.207 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -72.24 -62.63 0.04 OUTLIER 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 123.362 2.708 . . . . 0.0 112.32 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -163.39 176.1 10.16 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 128.26 2.624 . . . . 0.0 110.218 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -145.25 117.86 5.31 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 125.101 1.36 . . . . 0.0 109.432 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -49.68 -30.86 23.5 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 123.734 2.956 . . . . 0.0 115.988 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -72.68 -20.47 61.23 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.49 1.116 . . . . 0.0 113.519 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -58.7 -33.84 70.62 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -175.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.25 -35.56 79.32 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.549 1.139 . . . . 0.0 111.437 178.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.23 -19.86 59.54 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.996 0.919 . . . . 0.0 112.811 176.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 17.0 t -79.06 -50.48 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 123.64 0.776 . . . . 0.0 109.117 175.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 72.9 m -47.26 -45.85 24.12 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.071 1.748 . . . . 0.0 115.601 -178.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -61.27 -25.39 67.06 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 7.1 mt -90.13 -53.9 8.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 C-N-CA 126.456 1.902 . . . . 0.0 108.505 177.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -157.41 114.11 1.89 Allowed Pre-proline 0 CA--C 1.554 1.114 0 C-N-CA 127.058 2.143 . . . . 0.0 111.772 177.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -77.24 175.83 10.86 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 123.104 2.536 . . . . 0.0 112.167 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -75.13 -20.5 59.37 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.968 -1.083 . . . . 0.0 113.062 178.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 31.4 p -71.1 -46.91 60.82 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.015 1.726 . . . . 0.0 113.92 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 33.5 m -139.74 149.83 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.519 1.528 . . . . 0.0 112.106 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 83.5 mtp -79.85 65.2 4.94 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.89 0.876 . . . . 0.0 111.077 176.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 10.6 tp -57.06 -17.01 8.57 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.429 1.492 . . . . 0.0 112.888 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.75 -29.31 11.12 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.803 2.041 . . . . 0.0 113.447 174.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 4.1 p -73.99 -8.73 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.005 1.322 . . . . 0.0 113.652 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -134.6 -25.37 1.48 Allowed 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -74.79 156.7 36.25 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.494 1.117 . . . . 0.0 112.522 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -124.23 155.88 18.19 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.997 1.761 . . . . 0.0 112.471 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 53.2 mt -128.33 121.81 56.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.26 1.424 . . . . 0.0 110.764 -176.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -80.86 65.57 6.05 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.572 1.549 . . . . 0.0 111.55 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -47.25 -32.51 4.64 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.124 2.17 . . . . 0.0 112.613 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 47.6 mt -54.47 -13.95 1.11 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 127.985 2.514 . . . . 0.0 114.418 177.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.3 t -63.28 -12.57 30.22 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.933 2.093 . . . . 0.0 114.773 177.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -60.02 159.88 18.72 Favored Pre-proline 0 CA--C 1.556 1.181 0 C-N-CA 125.382 1.473 . . . . 0.0 112.193 178.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -63.05 116.68 3.72 Favored 'Trans proline' 0 CA--C 1.549 1.249 0 C-N-CA 123.005 2.47 . . . . 0.0 112.144 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -76.51 177.27 9.02 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.79 2.994 . . . . 0.0 113.374 -177.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -138.14 155.92 74.12 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 126.103 1.761 . . . . 0.0 111.61 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -74.04 -4.12 14.9 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 123.806 3.004 . . . . 0.0 114.998 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -71.83 -5.0 60.16 Favored Glycine 0 CA--C 1.539 1.583 0 N-CA-C 116.611 1.404 . . . . 0.0 116.611 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 58.7 m -66.77 147.85 98.93 Favored Pre-proline 0 N--CA 1.472 0.628 0 CA-C-N 119.229 1.514 . . . . 0.0 111.687 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -75.36 -11.14 20.85 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 122.706 2.271 . . . . 0.0 113.954 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 N--CA 1.471 0.591 0 C-N-CA 126.734 2.013 . . . . 0.0 112.518 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 12.5 t . . . . . 0 CA--C 1.541 0.603 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -66.41 -33.62 37.24 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 122.874 2.383 . . . . 0.0 111.663 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -67.47 -48.56 66.81 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.532 1.133 . . . . 0.0 109.869 176.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -61.91 -44.86 95.91 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.244 0.618 . . . . 0.0 111.477 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 64.0 m -55.23 -45.18 75.97 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.763 0.825 . . . . 0.0 111.244 177.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 75.7 mtt85 -66.88 -47.13 72.8 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.784 1.234 . . . . 0.0 111.481 176.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 43.8 ttm105 -54.53 -43.95 72.39 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.441 1.497 . . . . 0.0 111.812 176.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.7 mp -67.94 -46.6 71.03 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.055 1.342 . . . . 0.0 110.939 176.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 74.0 m -58.06 -46.42 85.44 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.507 0.723 . . . . 0.0 111.412 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 34.3 mt -56.03 -61.23 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 126.672 1.989 . . . . 0.0 110.477 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -60.97 -38.33 85.57 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -177.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 19.3 mmt85 -61.49 -52.18 65.58 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.974 0.909 . . . . 0.0 110.15 175.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 37.3 t -55.9 -41.15 74.06 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.639 0.775 . . . . 0.0 111.068 175.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 53.6 mt -62.01 -32.77 55.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 O-C-N 121.134 -0.979 . . . . 0.0 112.823 176.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -62.32 -44.27 96.9 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.766 1.621 . . . . 0.0 110.076 174.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 22.0 m -63.38 -39.18 93.83 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.019 1.328 . . . . 0.0 111.796 176.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.27 -51.69 68.47 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.518 1.527 . . . . 0.0 110.072 176.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 80.9 t -56.42 -50.06 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.133 176.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 19.2 t60 -51.5 -59.41 4.28 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.951 0.796 . . . . 0.0 110.731 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.27 -26.44 60.82 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 91.6 m -81.9 -13.54 57.41 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 176.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -120.04 -13.93 8.94 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 14.7 t -58.25 123.97 17.86 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.202 1.801 . . . . 0.0 111.661 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -73.82 -7.06 50.74 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.767 2.027 . . . . 0.0 116.366 -176.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 27.3 t30 -140.23 114.99 9.53 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.598 1.159 . . . . 0.0 112.465 -176.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.95 -15.07 19.08 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 177.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -95.45 10.15 37.48 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 126.678 1.991 . . . . 0.0 113.672 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 46.5 t -44.52 137.37 3.78 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 127.369 2.267 . . . . 0.0 113.899 -178.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 20.2 m -78.82 -9.77 59.57 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.544 1.537 . . . . 0.0 114.928 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 1.7 tm? -70.55 115.67 37.56 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 126.063 1.745 . . . . 0.0 109.721 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -48.69 -41.31 38.12 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.505 2.804 . . . . 0.0 115.04 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 2.4 m -68.49 -35.9 78.16 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.399 0.68 . . . . 0.0 112.753 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 26.0 t -63.63 -51.22 66.17 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.133 1.373 . . . . 0.0 108.421 175.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -53.01 -48.82 67.25 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.948 1.299 . . . . 0.0 111.509 175.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 87.5 mttt -57.12 -51.4 69.46 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.863 1.265 . . . . 0.0 111.27 175.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -41.93 75.35 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.063 0.945 . . . . 0.0 112.741 177.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -52.45 -30.78 31.39 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 117.639 -1.172 . . . . 0.0 113.469 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -63.51 -59.74 4.26 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 119.994 1.27 . . . . 0.0 111.17 175.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 35.9 m -65.01 -32.95 60.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 53.6 t -62.85 -46.98 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.113 0.965 . . . . 0.0 109.611 174.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.06 -30.17 70.8 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.593 1.157 . . . . 0.0 111.87 175.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 9.4 t60 -71.28 -65.65 0.72 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.059 0.944 . . . . 0.0 111.082 177.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 7.3 t -54.75 -33.64 61.5 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -175.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -70.13 -11.96 61.26 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 177.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -135.61 -0.13 3.32 Favored Glycine 0 CA--C 1.538 1.476 0 N-CA-C 116.862 1.505 . . . . 0.0 116.862 -177.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 44.2 t -57.28 130.05 44.49 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.564 1.682 . . . . 0.0 112.717 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -74.91 -10.44 59.5 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.872 1.669 . . . . 0.0 114.339 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -130.3 -33.04 1.73 Allowed 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -178.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1812 ' ' LYS . . . . . 0.401 ' HG2' ' H ' ' A' 1813 ' ' THR . 21.6 tttp 51.9 -161.74 0.09 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.361 1.864 . . . . 0.0 113.123 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1813 ' ' THR . . . . . 0.401 ' H ' ' HG2' ' A' 1812 ' ' LYS . 17.6 p -60.44 -28.4 68.27 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.494 -1.379 . . . . 0.0 112.452 175.533 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 33.9 t30 -58.59 -42.69 88.65 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.963 1.305 . . . . 0.0 111.623 176.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -89.22 -3.71 75.35 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 125.178 1.37 . . . . 0.0 114.028 176.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 88.26 22.15 42.3 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 125.532 1.539 . . . . 0.0 115.907 177.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 8.0 t -57.77 122.88 60.08 Favored Pre-proline 0 CA--C 1.554 1.12 0 CA-C-N 118.799 1.299 . . . . 0.0 112.947 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.69 -44.11 48.44 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 123.257 2.638 . . . . 0.0 114.491 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 11.8 t -60.58 -56.13 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 123.852 0.861 . . . . 0.0 110.761 -177.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 17.4 m -53.81 -49.77 67.62 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 126.178 1.791 . . . . 0.0 110.018 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.81 -48.73 77.3 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 118.894 0.77 . . . . 0.0 111.429 176.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -59.83 -44.07 94.23 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.858 0.863 . . . . 0.0 112.232 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1823 ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' 1823 ' ' LEU . 7.7 mt -62.44 -54.05 45.87 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.723 0.692 . . . . 0.0 110.479 175.496 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 36.3 mm -55.71 -38.79 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 124.033 0.933 . . . . 0.0 111.818 178.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -57.71 -52.77 64.07 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.757 1.162 . . . . 0.0 111.334 176.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.75 -45.44 89.83 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.831 1.252 . . . . 0.0 111.55 177.329 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 99.2 m -58.44 -39.35 79.59 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.897 0.771 . . . . 0.0 111.216 174.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 49.8 t -67.46 -48.04 68.38 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.406 1.083 . . . . 0.0 111.297 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 5.7 t80 -58.19 -40.46 81.6 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.402 0.546 . . . . 0.0 110.749 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 39.9 t60 -61.26 -58.59 7.68 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.061 0.944 . . . . 0.0 110.078 173.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -52.5 -33.71 46.24 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.815 1.646 . . . . 0.0 114.297 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -54.6 -48.76 71.78 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.357 1.863 . . . . 0.0 111.121 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -90.24 -21.13 22.27 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.875 1.67 . . . . 0.0 114.875 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 6.7 t -63.94 165.02 9.39 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.629 1.171 . . . . 0.0 113.964 -178.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -151.59 -6.65 0.24 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.258 1.823 . . . . 0.0 115.393 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -72.63 122.49 21.5 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.753 -1.217 . . . . 0.0 112.164 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 35.1 t30 -64.74 -17.86 64.52 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -136.28 42.67 2.54 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.947 2.099 . . . . 0.0 112.324 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 10.7 t -53.46 136.46 52.02 Favored Pre-proline 0 CA--C 1.559 1.29 0 C-N-CA 125.438 1.495 . . . . 0.0 111.791 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -64.27 -25.14 64.67 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 123.309 2.673 . . . . 0.0 114.841 -177.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 91.0 t -68.2 118.53 59.98 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 124.392 1.077 . . . . 0.0 108.744 177.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -65.24 -36.14 37.7 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.687 2.258 . . . . 0.0 114.1 -175.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -76.51 -29.34 56.74 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 44.4 t -48.85 -64.97 0.65 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.691 1.596 . . . . 0.0 111.393 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 1.3 mp -50.49 -42.88 55.25 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 126.244 1.818 . . . . 0.0 113.347 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -62.39 -48.78 78.23 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.718 0.807 . . . . 0.0 110.38 177.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 8.3 mm -58.49 -45.16 90.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-O 118.338 -0.839 . . . . 0.0 110.794 175.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 65.3 mttt -51.65 -45.37 63.33 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-N 120.147 1.339 . . . . 0.0 111.62 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 50.7 t60 -59.76 -50.86 72.16 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.403 0.681 . . . . 0.0 110.941 176.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 14.2 mptt -56.34 -42.1 77.15 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.917 0.887 . . . . 0.0 111.759 176.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.6 mp -61.28 -42.54 98.81 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.597 1.559 . . . . 0.0 112.072 176.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -71.61 -30.23 65.56 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 176.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -67.85 -11.69 59.11 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.67 1.188 . . . . 0.0 113.72 179.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -66.28 -14.62 62.28 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.036 1.335 . . . . 0.0 113.625 177.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 15.4 pt20 . . . . . 0 CA--C 1.54 0.576 0 C-N-CA 126.282 1.833 . . . . 0.0 113.056 179.931 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 80.6 p . . . . . 0 N--CA 1.472 0.672 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -61.57 139.44 58.26 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.388 1.475 . . . . 0.0 112.275 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 64.1 mtt -97.21 16.1 20.83 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.658 1.583 . . . . 0.0 114.319 -177.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -139.18 162.42 52.17 Favored Pre-proline 0 CA--C 1.541 0.63 0 C-N-CA 127.082 2.153 . . . . 0.0 111.577 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -77.14 -179.65 5.63 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 124.495 3.463 . . . . 0.0 106.477 169.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -118.07 166.41 12.58 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 124.364 1.066 . . . . 0.0 110.479 174.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -150.44 133.62 8.63 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 124.526 1.13 . . . . 0.0 110.22 -178.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -65.8 -14.61 45.47 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 122.832 2.355 . . . . 0.0 115.254 -176.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -90.45 -16.98 27.96 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.992 0.917 . . . . 0.0 113.251 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -57.96 -32.15 67.56 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -174.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -64.91 -48.04 75.6 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.996 1.318 . . . . 0.0 111.103 177.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.12 -24.53 67.45 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.307 1.043 . . . . 0.0 113.079 177.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 64.1 t -80.98 -48.61 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.724 1.21 . . . . 0.0 109.783 175.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 12.2 t -46.14 -46.34 17.12 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.72 2.008 . . . . 0.0 114.409 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -62.44 -24.71 67.58 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 178.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 11.3 mt -90.03 -53.08 9.73 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 127.135 2.174 . . . . 0.0 108.524 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -155.08 108.61 2.28 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 127.47 2.308 . . . . 0.0 111.786 176.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -79.21 177.92 8.06 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 122.998 2.465 . . . . 0.0 111.396 177.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -75.22 -30.12 60.48 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -177.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 23.5 m -71.61 -39.92 70.14 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -176.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.9 m -143.49 157.3 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.834 1.254 . . . . 0.0 113.0 -177.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 51.1 ttm -80.46 66.69 6.05 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.388 1.075 . . . . 0.0 110.336 175.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 40.5 tp -58.41 -21.85 52.13 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.65 1.18 . . . . 0.0 112.858 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.37 -40.37 49.31 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.114 1.366 . . . . 0.0 114.188 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 35.0 m -67.17 -8.97 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 CA-C-N 120.642 1.564 . . . . 0.0 113.477 177.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -116.59 3.88 13.15 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 128.099 2.559 . . . . 0.0 112.713 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -130.79 174.44 9.96 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.772 1.629 . . . . 0.0 113.12 -173.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.62 162.99 31.92 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 126.023 1.773 . . . . 0.0 112.295 177.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 66.7 mt -123.08 115.12 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 125.873 1.669 . . . . 0.0 108.785 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -77.99 56.85 1.66 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.341 1.056 . . . . 0.0 112.754 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 10.5 tt -52.21 -30.55 27.81 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.938 1.295 . . . . 0.0 112.419 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 48.1 mt -47.86 -21.34 0.4 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 128.735 2.814 . . . . 0.0 114.261 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.1 t -63.08 -20.07 65.0 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.095 1.758 . . . . 0.0 113.39 175.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -56.48 151.02 31.23 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 125.383 1.473 . . . . 0.0 114.07 -178.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -69.93 164.12 35.88 Favored 'Trans proline' 0 CA--C 1.549 1.255 0 C-N-CA 123.196 2.597 . . . . 0.0 112.688 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -51.41 -30.28 34.05 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 124.262 3.308 . . . . 0.0 116.289 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -147.9 153.46 42.33 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 125.737 1.615 . . . . 0.0 111.241 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -72.48 -10.15 25.03 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 123.574 2.85 . . . . 0.0 114.205 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.66 -179.83 42.93 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 126.552 2.025 . . . . 0.0 111.951 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 50.3 m -57.25 116.89 15.05 Favored Pre-proline 0 N--CA 1.473 0.717 0 C-N-CA 125.281 1.432 . . . . 0.0 112.107 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -75.07 -14.85 20.88 Favored 'Trans proline' 0 CA--C 1.543 0.935 0 C-N-CA 123.034 2.489 . . . . 0.0 114.336 -178.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 N--CA 1.472 0.636 0 C-N-CA 125.299 1.439 . . . . 0.0 112.409 179.746 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 C--O 1.24 0.592 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -67.28 -29.14 39.15 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.893 2.395 . . . . 0.0 111.742 177.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -74.4 -44.42 52.12 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.954 0.902 . . . . 0.0 110.432 176.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.54 -55.88 23.19 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.866 0.867 . . . . 0.0 111.657 178.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 45.3 p -54.84 -41.28 70.53 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.372 0.669 . . . . 0.0 112.4 178.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -60.9 -55.05 37.61 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.975 1.71 . . . . 0.0 111.245 175.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -59.43 -32.82 70.55 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.907 1.683 . . . . 0.0 112.66 178.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.5 mp -74.88 -46.39 36.51 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.915 0.886 . . . . 0.0 110.332 175.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 59.0 m -61.67 -47.67 84.26 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.636 0.774 . . . . 0.0 112.657 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 16.6 tt -57.07 -49.96 77.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.744 0.818 . . . . 0.0 111.498 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -66.5 -41.98 88.09 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.063 0.847 . . . . 0.0 112.484 178.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 72.2 mmt-85 -57.07 -46.53 82.43 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.465 1.03 . . . . 0.0 111.572 176.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 42.9 t -61.96 -40.93 97.26 Favored 'General case' 0 CA--C 1.543 0.712 0 O-C-N 122.014 -0.429 . . . . 0.0 110.74 174.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 45.0 mt -60.71 -36.65 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.091 0.956 . . . . 0.0 112.483 176.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -58.01 -45.67 86.52 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 120.693 1.588 . . . . 0.0 109.982 173.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 52.9 m -68.12 -31.13 70.51 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 58.6 tp -62.72 -50.86 69.44 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.332 1.053 . . . . 0.0 109.492 174.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 92.6 t -56.08 -48.48 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 123.7 0.8 . . . . 0.0 109.929 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 28.3 t60 -52.96 -59.66 4.25 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.756 0.822 . . . . 0.0 110.749 176.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -56.25 -31.01 63.16 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 88.9 m -71.87 -16.33 62.14 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 177.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -118.45 -15.58 9.63 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.064 1.346 . . . . 0.0 114.194 177.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 11.9 t -51.41 113.69 1.03 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.503 2.321 . . . . 0.0 112.503 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -69.39 -20.06 63.82 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.752 2.021 . . . . 0.0 115.239 -175.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 34.0 t30 -123.34 110.52 15.27 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.256 1.423 . . . . 0.0 112.429 -176.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -56.95 -17.54 10.04 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 178.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -90.54 -0.01 57.51 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.809 1.644 . . . . 0.0 114.384 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 48.6 t -40.86 108.66 0.09 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 127.256 2.222 . . . . 0.0 112.468 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 79.6 p -71.22 1.48 5.97 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 116.908 2.188 . . . . 0.0 116.908 -173.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 20.9 tp -60.96 123.74 76.7 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 124.857 1.263 . . . . 0.0 108.704 177.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -45.13 -44.65 15.32 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.502 2.802 . . . . 0.0 114.935 -177.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 37.3 m -71.04 -42.18 69.84 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 5.6 t -58.7 -45.83 88.65 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.922 1.289 . . . . 0.0 109.528 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -50.58 -47.39 57.95 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.793 1.237 . . . . 0.0 112.235 175.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -66.51 -51.95 51.16 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 119.344 0.975 . . . . 0.0 111.09 177.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 53.0 tpp -53.7 -41.76 67.29 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 126.283 1.833 . . . . 0.0 113.229 -177.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.72 -47.77 50.36 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.339 1.456 . . . . 0.0 112.865 178.009 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -60.07 -47.24 86.7 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 118.984 0.811 . . . . 0.0 112.337 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 2.6 t -69.77 -43.37 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.802 0.841 . . . . 0.0 112.53 -177.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 8.2 p -64.91 -37.64 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 119.272 0.942 . . . . 0.0 110.904 176.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -64.22 -27.97 69.42 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.022 0.929 . . . . 0.0 112.1 174.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.6 t60 -70.6 -66.92 0.54 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.906 0.882 . . . . 0.0 109.862 175.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 4.9 t -56.11 -34.59 66.18 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -174.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -66.77 -13.34 61.34 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 178.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -137.33 3.0 3.25 Favored Glycine 0 CA--C 1.538 1.495 0 N-CA-C 116.424 1.33 . . . . 0.0 116.424 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 49.5 t -57.47 129.36 41.47 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.226 1.513 . . . . 0.0 112.997 -178.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 23.1 tptm -70.68 -16.92 62.84 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.799 1.64 . . . . 0.0 112.411 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 39.6 ttm105 -107.33 -58.85 1.9 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.479 1.912 . . . . 0.0 111.858 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 32.9 tttt 53.52 -171.88 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 127.389 2.275 . . . . 0.0 113.2 -176.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 25.5 p -58.5 -31.08 67.55 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 120.399 -1.438 . . . . 0.0 112.568 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 38.9 t30 -58.22 -35.43 71.66 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.036 1.335 . . . . 0.0 112.229 175.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -101.51 4.75 54.38 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 126.094 1.807 . . . . 0.0 113.965 177.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 83.95 18.15 63.84 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 125.237 1.398 . . . . 0.0 116.376 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 10.4 t -57.67 115.2 10.15 Favored Pre-proline 0 CA--C 1.553 1.073 0 CA-C-N 119.459 1.63 . . . . 0.0 112.114 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -56.9 -44.69 42.32 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.211 2.607 . . . . 0.0 114.096 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 58.6 t -54.44 -60.09 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.423 1.489 . . . . 0.0 111.358 -178.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 35.2 m -52.49 -46.71 66.7 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.967 1.707 . . . . 0.0 110.972 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -47.83 81.61 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.642 1.177 . . . . 0.0 110.926 176.306 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -60.0 -41.95 93.22 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.472 1.033 . . . . 0.0 112.063 178.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.71 -49.68 69.9 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 118.53 0.605 . . . . 0.0 110.855 177.435 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 61.9 mt -62.47 -30.36 48.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 125.021 1.329 . . . . 0.0 112.087 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -57.1 -47.2 81.64 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.926 1.239 . . . . 0.0 111.104 175.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 9.1 mp -68.36 -36.25 78.94 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.738 0.815 . . . . 0.0 111.077 176.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 82.6 m -60.53 -40.32 91.07 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.606 0.639 . . . . 0.0 110.734 174.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 93.7 m -64.26 -49.33 72.29 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.102 0.961 . . . . 0.0 111.024 176.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 42.1 t80 -58.92 -40.95 86.1 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.234 0.613 . . . . 0.0 111.524 177.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 47.4 t60 -60.92 -58.62 7.68 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.173 0.989 . . . . 0.0 110.173 174.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -54.51 -30.22 52.82 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.57 1.548 . . . . 0.0 114.746 -178.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -57.68 -44.71 85.96 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.222 1.409 . . . . 0.0 111.033 177.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 46.3 m80 -90.07 -30.09 17.93 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.552 1.941 . . . . 0.0 113.975 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 14.3 t -65.44 156.5 32.18 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.159 1.384 . . . . 0.0 113.311 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -142.64 -3.8 1.0 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.823 2.049 . . . . 0.0 113.875 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -72.29 119.01 15.89 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.639 -1.288 . . . . 0.0 111.62 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.78 -17.11 63.9 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 -178.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -132.67 32.8 3.82 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.59 1.956 . . . . 0.0 113.269 -177.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 13.4 t -50.71 136.83 25.41 Favored Pre-proline 0 CA--C 1.557 1.232 0 C-N-CA 126.484 1.914 . . . . 0.0 112.302 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -64.63 -24.03 63.1 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 123.343 2.695 . . . . 0.0 114.788 -177.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 94.3 t -66.05 123.97 86.54 Favored Pre-proline 0 N--CA 1.475 0.799 0 C-N-CA 124.221 1.009 . . . . 0.0 109.047 177.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -63.13 -47.91 7.32 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 123.011 2.474 . . . . 0.0 114.68 -174.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -73.08 -29.33 62.87 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 114.052 1.131 . . . . 0.0 114.052 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 41.4 t -42.37 -66.16 0.39 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.261 1.825 . . . . 0.0 112.641 -177.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 57.6 mt -53.52 -38.63 63.93 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.911 1.285 . . . . 0.0 113.912 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 51.9 t30 -63.61 -50.21 70.29 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.857 0.753 . . . . 0.0 109.626 175.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 13.1 mm -57.18 -47.89 83.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-O 118.926 -0.559 . . . . 0.0 110.573 177.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -53.04 -44.17 67.19 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.582 1.083 . . . . 0.0 111.647 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 33.2 t60 -62.67 -48.86 77.49 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.188 0.595 . . . . 0.0 111.187 175.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -56.92 -31.29 64.77 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.937 1.695 . . . . 0.0 112.297 176.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 5.0 mp -78.1 -44.97 24.68 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.198 1.799 . . . . 0.0 112.117 176.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -66.99 -33.08 74.79 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -69.85 -11.88 61.2 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -64.56 -20.03 65.99 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.905 1.282 . . . . 0.0 112.954 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 . . . . . 0 N--CA 1.473 0.719 0 C-N-CA 127.756 2.423 . . . . 0.0 114.05 177.02 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 79.8 p . . . . . 0 N--CA 1.471 0.585 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -144.06 8.2 1.43 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.784 1.634 . . . . 0.0 114.534 -176.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 67.2 mtt -79.93 3.29 20.37 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.834 1.79 . . . . 0.0 115.834 -178.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.31 152.36 73.31 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 125.88 1.672 . . . . 0.0 111.485 176.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -70.48 -77.48 0.01 OUTLIER 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 123.414 2.743 . . . . 0.0 112.363 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -165.51 173.74 10.66 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 127.287 2.235 . . . . 0.0 110.807 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -149.63 149.46 28.46 Favored Pre-proline 0 CA--C 1.544 0.736 0 C-N-CA 125.709 1.604 . . . . 0.0 109.849 175.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -72.25 -8.69 23.2 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 122.383 2.055 . . . . 0.0 114.866 -176.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -93.06 -17.85 23.34 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -178.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -62.4 -30.34 71.14 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.832 1.197 . . . . 0.0 113.439 -173.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -70.26 -27.11 64.18 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.518 1.527 . . . . 0.0 112.008 175.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.71 -33.14 17.63 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.646 1.578 . . . . 0.0 112.391 177.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 98.0 t -76.53 -51.16 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.713 1.205 . . . . 0.0 111.119 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 44.1 m -56.55 -34.9 67.52 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 -176.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -67.3 -22.41 65.63 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 121.605 -0.684 . . . . 0.0 112.84 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 13.2 mt -90.14 -51.74 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 126.208 1.803 . . . . 0.0 109.35 176.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -152.09 101.6 2.82 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 127.695 2.398 . . . . 0.0 112.777 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -80.92 179.69 5.79 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 123.492 2.794 . . . . 0.0 112.053 177.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -77.21 -20.66 55.01 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.833 -1.167 . . . . 0.0 113.81 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 25.2 p -73.41 -47.28 43.06 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.726 1.61 . . . . 0.0 113.848 -178.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.8 m -141.52 155.41 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.916 1.687 . . . . 0.0 112.329 -178.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 47.2 ttm -82.43 65.65 7.65 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.671 0.788 . . . . 0.0 110.038 175.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 57.5 tp -50.69 -23.66 2.81 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 126.662 1.985 . . . . 0.0 113.6 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.09 -24.18 24.3 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.043 1.337 . . . . 0.0 113.284 174.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.6 p -72.7 -16.73 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 O-C-N 121.207 -0.933 . . . . 0.0 112.349 176.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -111.33 -38.22 5.05 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.669 1.988 . . . . 0.0 112.741 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -65.3 153.12 42.04 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.32 1.848 . . . . 0.0 113.974 -177.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -137.92 86.67 0.22 Allowed Glycine 0 CA--C 1.531 1.079 0 C-N-CA 127.149 2.309 . . . . 0.0 109.874 178.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 83.7 mt -58.14 130.94 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 125.803 1.641 . . . . 0.0 111.782 -176.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -72.41 45.71 0.14 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.643 2.377 . . . . 0.0 113.863 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 63.3 tp -55.94 -26.28 47.13 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 120.653 -1.279 . . . . 0.0 110.652 172.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.2 tp -46.71 -21.74 0.23 Allowed 'General case' 0 CA--C 1.554 1.107 1 C-N-CA 132.111 4.164 . . . . 0.0 112.617 170.595 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.6 t -62.28 -15.97 50.87 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.969 1.707 . . . . 0.0 114.611 176.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -59.17 149.47 67.49 Favored Pre-proline 0 CA--C 1.553 1.06 0 C-N-CA 124.473 1.109 . . . . 0.0 113.761 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -73.34 154.49 51.12 Favored 'Trans proline' 0 CA--C 1.547 1.126 0 C-N-CA 122.91 2.406 . . . . 0.0 112.528 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -73.9 168.12 25.55 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 123.476 2.784 . . . . 0.0 112.964 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.37 155.67 90.27 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 124.51 1.124 . . . . 0.0 112.015 177.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -72.14 -10.93 26.58 Favored 'Trans proline' 0 CA--C 1.546 1.091 0 C-N-CA 123.477 2.784 . . . . 0.0 114.217 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 179.99 -46.03 0.08 OUTLIER Glycine 0 CA--C 1.533 1.212 0 C-N-CA 126.274 1.892 . . . . 0.0 112.05 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 42.4 t -150.11 142.01 15.34 Favored Pre-proline 0 N--CA 1.47 0.555 0 C-N-CA 126.532 1.933 . . . . 0.0 110.243 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -72.34 -16.63 27.8 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 122.822 2.348 . . . . 0.0 112.907 177.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 . . . . . 0 C--O 1.24 0.557 0 C-N-CA 124.802 1.241 . . . . 0.0 111.963 179.369 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 67.3 m . . . . . 0 CA--C 1.542 0.649 0 CA-C-O 119.322 -0.37 . . . . 0.0 111.766 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -49.62 -36.74 41.69 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 124.575 3.516 . . . . 0.0 115.099 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -63.77 -46.0 87.26 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.421 1.089 . . . . 0.0 111.307 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -65.57 -50.27 65.75 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.41 1.084 . . . . 0.0 111.263 177.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 87.2 p -59.33 -39.34 82.82 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.005 0.821 . . . . 0.0 111.754 178.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -61.82 -51.87 66.5 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.101 0.96 . . . . 0.0 110.795 173.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 44.2 ttm105 -56.08 -41.8 75.71 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.621 1.568 . . . . 0.0 112.295 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.6 mp -67.22 -42.31 84.28 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.496 1.118 . . . . 0.0 110.68 175.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 48.9 m -63.46 -42.8 98.63 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.477 -0.765 . . . . 0.0 111.469 177.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 41.7 mt -55.83 -61.92 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 125.804 1.642 . . . . 0.0 110.138 176.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -59.78 -33.99 72.42 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -65.78 -54.88 21.18 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.035 0.934 . . . . 0.0 110.847 175.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 38.4 t -56.92 -36.02 69.71 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.639 0.654 . . . . 0.0 111.553 176.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 34.5 mt -58.88 -30.72 43.53 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 O-C-N 121.157 -0.965 . . . . 0.0 112.428 175.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -63.46 -47.23 82.7 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 120.431 1.468 . . . . 0.0 110.122 175.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 19.1 m -62.4 -37.61 86.45 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.964 1.306 . . . . 0.0 111.79 176.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.33 -52.77 63.85 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.952 1.301 . . . . 0.0 110.421 175.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 91.6 t -55.14 -50.08 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-O 118.562 -0.733 . . . . 0.0 110.087 177.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 31.3 t60 -52.76 -57.99 8.33 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.466 0.706 . . . . 0.0 110.843 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -55.06 -31.44 61.14 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 95.4 m -76.38 -13.93 60.1 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 178.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -119.56 -12.62 9.28 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.192 1.397 . . . . 0.0 114.092 178.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 8.8 t -63.55 120.55 11.94 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.878 1.671 . . . . 0.0 112.145 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -72.98 -6.9 48.45 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.145 1.778 . . . . 0.0 114.177 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 43.3 t30 -127.28 112.87 15.57 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.949 1.3 . . . . 0.0 112.744 -177.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -63.17 -11.15 18.53 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 176.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 14.4 m120 -118.13 28.51 8.33 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 127.259 2.224 . . . . 0.0 112.671 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 52.7 t -50.63 152.79 1.86 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.468 2.307 . . . . 0.0 112.637 178.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 17.7 m -80.51 -14.61 58.11 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 -177.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 18.0 tp -69.99 133.02 88.15 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-N 120.761 1.619 . . . . 0.0 109.558 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -63.56 -37.38 48.02 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 121.757 1.638 . . . . 0.0 113.243 -175.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 49.5 m -72.28 -38.43 68.8 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 38.1 t -57.79 -51.13 70.85 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.857 1.263 . . . . 0.0 109.918 177.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -47.67 -51.79 20.46 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.383 1.473 . . . . 0.0 112.471 176.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -72.84 -41.55 64.71 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.669 -0.644 . . . . 0.0 112.581 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 61.3 tpp -58.96 -40.63 85.34 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.57 1.148 . . . . 0.0 112.186 178.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -51.94 -39.71 59.63 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.097 0.959 . . . . 0.0 112.671 177.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -58.91 -55.95 28.52 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 119.18 0.9 . . . . 0.0 111.935 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 23.2 m -64.41 -35.45 74.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 118.853 0.752 . . . . 0.0 112.324 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 41.9 t -60.86 -49.35 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.708 0.803 . . . . 0.0 110.176 175.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -64.71 -26.73 68.5 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.872 0.869 . . . . 0.0 112.561 176.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 5.2 t60 -68.85 -66.88 0.52 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.023 0.929 . . . . 0.0 109.799 176.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 5.5 t -56.2 -34.76 66.56 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -174.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -68.95 -9.88 54.37 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -144.3 16.01 2.09 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 125.166 1.365 . . . . 0.0 115.874 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 43.1 t -57.34 145.72 31.39 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 118.851 1.326 . . . . 0.0 113.1 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -70.28 -18.87 63.13 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.235 1.414 . . . . 0.0 113.144 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -140.61 -26.62 0.74 Allowed 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 177.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1812 ' ' LYS . . . . . 0.449 ' HG2' ' H ' ' A' 1813 ' ' THR . 42.2 tttt 50.58 -163.06 0.05 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.501 1.92 . . . . 0.0 113.299 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1813 ' ' THR . . . . . 0.449 ' H ' ' HG2' ' A' 1812 ' ' LYS . 19.9 p -59.86 -26.62 66.0 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 120.382 -1.449 . . . . 0.0 112.745 176.265 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 32.8 t30 -59.53 -43.87 93.35 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.852 1.261 . . . . 0.0 111.423 175.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -89.35 -7.16 69.99 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 124.989 1.281 . . . . 0.0 113.843 176.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 95.75 20.37 26.71 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.673 1.606 . . . . 0.0 116.162 177.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 10.0 t -54.97 113.42 5.38 Favored Pre-proline 0 CA--C 1.555 1.163 0 CA-C-N 119.152 1.476 . . . . 0.0 112.539 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -58.73 -36.26 97.39 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 123.184 2.589 . . . . 0.0 113.873 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 48.9 t -59.66 -62.16 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.17 1.388 . . . . 0.0 110.012 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 49.6 m -52.88 -48.85 66.84 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.149 1.779 . . . . 0.0 111.72 178.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -51.99 64.39 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.497 1.119 . . . . 0.0 111.053 178.098 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -65.02 -31.88 73.32 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.55 -50.15 64.09 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.341 0.973 . . . . 0.0 109.401 173.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 69.4 mt -62.42 -30.5 49.2 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 125.663 1.585 . . . . 0.0 111.706 178.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -56.85 -49.62 74.9 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 119.721 1.146 . . . . 0.0 110.886 175.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 7.2 mp -67.54 -38.95 84.92 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.144 0.977 . . . . 0.0 110.972 176.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 83.8 m -58.92 -41.86 88.29 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.848 0.749 . . . . 0.0 110.991 174.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 44.7 t -65.76 -48.98 70.01 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.014 1.325 . . . . 0.0 111.257 177.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 3.6 t80 -58.98 -37.69 77.41 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.271 0.628 . . . . 0.0 111.124 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 30.9 t60 -63.81 -58.48 6.7 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.893 1.277 . . . . 0.0 109.946 173.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -52.42 -32.56 39.75 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.051 1.74 . . . . 0.0 114.631 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -54.96 -45.97 74.97 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.942 1.697 . . . . 0.0 111.135 177.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 48.2 m80 -90.17 -27.85 19.29 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 127.007 2.123 . . . . 0.0 114.462 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 8.7 t -63.02 154.28 31.18 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.04 1.336 . . . . 0.0 113.803 -177.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -137.87 -4.87 1.74 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.765 2.026 . . . . 0.0 114.184 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -73.37 118.87 16.84 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.535 -1.353 . . . . 0.0 111.894 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -16.38 60.07 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -178.08 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -136.73 38.66 2.62 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 126.781 2.032 . . . . 0.0 112.681 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 14.0 t -52.08 136.92 38.08 Favored Pre-proline 0 CA--C 1.558 1.288 0 C-N-CA 125.866 1.666 . . . . 0.0 112.408 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -65.14 -24.08 59.57 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 123.477 2.785 . . . . 0.0 115.174 -177.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 70.3 t -64.39 116.02 24.74 Favored Pre-proline 0 N--CA 1.477 0.915 0 C-N-CA 124.733 1.213 . . . . 0.0 109.504 178.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -47.98 -51.61 9.64 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 124.298 3.332 . . . . 0.0 116.252 -176.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -78.4 -22.44 47.8 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 -176.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 42.7 t -44.1 -66.22 0.41 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.935 1.694 . . . . 0.0 112.803 -176.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 6.3 mp -49.44 -46.04 47.24 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.456 1.902 . . . . 0.0 113.543 177.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 15.0 m120 -61.83 -44.98 95.75 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.449 0.7 . . . . 0.0 110.852 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 9.5 mm -59.86 -46.26 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-O 118.716 -0.659 . . . . 0.0 110.3 175.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 57.2 mttt -52.4 -46.35 66.26 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 119.791 1.178 . . . . 0.0 111.325 177.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 55.2 t60 -58.33 -46.59 85.91 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.851 0.86 . . . . 0.0 111.545 177.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -59.37 -45.53 91.19 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.712 1.205 . . . . 0.0 111.271 175.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 6.1 mp -59.17 -32.54 70.0 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.266 1.426 . . . . 0.0 112.988 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -70.42 -19.9 62.96 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.728 1.149 . . . . 0.0 113.474 175.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -75.43 -7.73 54.84 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -66.08 -13.49 60.14 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.252 1.421 . . . . 0.0 114.402 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 15.2 pt20 . . . . . 0 N--CA 1.472 0.65 0 C-N-CA 126.073 1.749 . . . . 0.0 112.617 178.78 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 81.1 p . . . . . 0 CA--C 1.54 0.576 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -73.47 -11.32 60.42 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.626 1.57 . . . . 0.0 114.411 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 86.8 mmm -138.17 173.83 11.2 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.912 2.085 . . . . 0.0 111.889 -178.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -152.42 143.73 16.0 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 125.394 1.478 . . . . 0.0 111.741 178.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -77.46 -89.45 0.0 OUTLIER 'Trans proline' 0 CA--C 1.544 0.995 0 C-N-CA 123.889 3.059 . . . . 0.0 110.856 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -160.35 168.69 24.7 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.738 1.615 . . . . 0.0 112.53 177.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -159.44 121.7 1.9 Allowed Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 127.305 2.242 . . . . 0.0 107.784 177.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -63.05 -18.32 64.59 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 122.535 2.157 . . . . 0.0 114.346 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -86.33 -12.16 50.15 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.273 1.429 . . . . 0.0 113.422 178.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -27.47 67.56 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -175.674 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -64.89 -41.15 95.87 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.977 0.911 . . . . 0.0 110.878 177.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.27 -38.59 75.11 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.34 1.056 . . . . 0.0 111.578 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 92.7 t -64.66 -44.38 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.806 0.842 . . . . 0.0 110.269 176.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 72.8 m -53.25 -43.9 67.72 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.646 1.578 . . . . 0.0 115.174 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -67.24 -19.14 65.48 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 119.324 0.965 . . . . 0.0 113.484 178.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 17.7 mt -90.13 -50.81 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 C-N-CA 126.223 1.809 . . . . 0.0 109.241 177.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -156.67 102.57 1.98 Allowed Pre-proline 0 CA--C 1.559 1.295 0 C-N-CA 128.309 2.644 . . . . 0.0 111.529 176.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -82.18 -18.5 7.33 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 124.132 3.221 . . . . 0.0 115.684 -176.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -142.37 -178.98 6.01 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.144 1.778 . . . . 0.0 110.095 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 16.4 m -58.36 -13.03 4.4 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.193 1.397 . . . . 0.0 114.637 178.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.4 m -63.22 145.14 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 126.216 1.806 . . . . 0.0 111.836 177.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 21.5 mmt -81.78 55.22 2.65 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.028 0.931 . . . . 0.0 111.529 178.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 44.6 tp -54.31 -29.54 47.97 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 120.92 -1.112 . . . . 0.0 112.837 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.06 -22.09 36.53 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.638 0.775 . . . . 0.0 112.994 174.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.24 -19.68 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 O-C-N 120.692 -1.255 . . . . 0.0 112.836 176.237 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -122.38 -25.74 4.75 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.913 1.685 . . . . 0.0 113.839 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -74.45 167.61 21.36 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.37 1.468 . . . . 0.0 111.205 176.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -148.36 92.0 0.15 Allowed Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.208 0.909 . . . . 0.0 114.422 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 64.9 mt -54.97 125.77 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 124.658 1.183 . . . . 0.0 109.272 175.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -75.9 57.91 1.1 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.355 1.462 . . . . 0.0 113.352 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 61.1 tp -52.51 -24.93 8.96 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.936 1.695 . . . . 0.0 113.047 178.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 60.7 mt -52.94 -16.08 0.94 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.729 2.411 . . . . 0.0 113.545 176.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.2 t -60.84 -23.33 65.03 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.628 1.971 . . . . 0.0 112.998 174.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.68 159.82 82.25 Favored Pre-proline 0 CA--C 1.554 1.101 0 C-N-CA 125.964 1.706 . . . . 0.0 113.251 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -72.5 145.59 42.65 Favored 'Trans proline' 0 CA--C 1.55 1.318 0 C-N-CA 122.436 2.091 . . . . 0.0 111.33 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -54.53 167.38 1.42 Allowed 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 124.068 3.179 . . . . 0.0 117.493 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.69 152.51 89.83 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 127.307 2.243 . . . . 0.0 112.957 176.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.4 -18.98 38.42 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 123.185 2.59 . . . . 0.0 113.721 178.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -93.16 7.53 75.98 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 125.891 1.71 . . . . 0.0 114.957 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 65.4 m -57.2 117.46 18.23 Favored Pre-proline 0 N--CA 1.474 0.766 0 C-N-CA 125.28 1.432 . . . . 0.0 111.963 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -74.5 -19.54 19.06 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 122.97 2.447 . . . . 0.0 114.148 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 . . . . . 0 N--CA 1.476 0.862 0 C-N-CA 127.497 2.319 . . . . 0.0 113.939 179.748 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 CA--C 1.54 0.591 0 CA-C-O 119.044 -0.503 . . . . 0.0 112.088 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -67.07 -34.03 29.93 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.683 2.255 . . . . 0.0 111.706 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 15.9 tp60 -63.19 -39.14 93.79 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.302 -0.874 . . . . 0.0 110.678 176.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.95 -60.13 3.15 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.197 0.999 . . . . 0.0 110.816 177.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 94.5 p -55.3 -37.71 67.72 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -178.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 14.2 mmp_? -64.33 -54.7 29.01 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.746 0.819 . . . . 0.0 111.708 177.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -63.37 -33.47 75.6 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.167 0.894 . . . . 0.0 112.419 177.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 6.1 mp -68.41 -30.5 69.42 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 41.0 m -58.42 -46.76 85.83 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.494 1.043 . . . . 0.0 111.723 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 54.6 mt -58.54 -63.0 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 125.345 1.458 . . . . 0.0 110.743 178.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -59.45 -34.72 72.87 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -178.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -63.49 -53.33 53.72 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.799 0.84 . . . . 0.0 110.406 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 32.2 t -57.71 -33.55 68.52 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 118.827 0.74 . . . . 0.0 111.768 176.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 53.5 mt -65.68 -27.52 41.66 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 O-C-N 121.106 -0.996 . . . . 0.0 112.246 176.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -63.63 -46.32 86.22 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 120.569 1.532 . . . . 0.0 109.395 173.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 9.0 m -59.55 -39.08 82.82 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.756 1.623 . . . . 0.0 111.515 175.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 61.1 tp -59.79 -53.96 51.8 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.12 1.368 . . . . 0.0 110.023 175.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 98.4 t -55.61 -50.51 66.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.534 177.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 30.0 t60 -51.46 -60.41 3.17 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.608 0.763 . . . . 0.0 111.121 177.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.65 -27.48 62.87 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -178.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 89.1 m -78.12 -14.54 59.44 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 176.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -118.41 -13.92 9.76 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.156 1.382 . . . . 0.0 114.263 178.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 13.4 t -59.91 116.96 4.49 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.543 1.937 . . . . 0.0 111.918 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -71.75 -6.94 45.02 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.72 2.008 . . . . 0.0 116.18 -176.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 32.9 t30 -137.09 110.21 7.77 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.617 1.167 . . . . 0.0 112.18 -177.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -56.92 -17.4 9.43 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 178.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -87.98 -0.03 56.5 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 125.771 1.628 . . . . 0.0 114.013 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 44.0 t -46.23 111.2 0.34 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.99 2.116 . . . . 0.0 111.454 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 78.6 p -74.36 2.01 10.34 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 -175.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 14.4 tp -61.26 127.34 87.99 Favored Pre-proline 0 CA--C 1.545 0.77 0 C-N-CA 124.655 1.182 . . . . 0.0 109.4 177.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -56.01 -37.23 96.46 Favored 'Trans proline' 0 CA--C 1.536 0.591 0 C-N-CA 122.934 2.423 . . . . 0.0 113.746 -176.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 75.6 m -64.54 -48.98 73.07 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.365 1.066 . . . . 0.0 111.978 176.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 8.6 t -61.55 -51.99 66.31 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.734 1.614 . . . . 0.0 109.839 177.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -46.95 -58.37 4.02 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.229 1.812 . . . . 0.0 111.604 175.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -57.26 -52.08 66.78 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.908 0.883 . . . . 0.0 112.035 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 40.1 tpp -56.69 -38.74 72.69 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.823 0.849 . . . . 0.0 113.051 178.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -55.39 -34.0 63.96 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 117.897 -1.049 . . . . 0.0 113.076 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -59.75 -57.74 11.58 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 120.269 1.395 . . . . 0.0 111.312 176.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 28.9 m -64.13 -36.17 76.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 43.3 t -62.07 -50.62 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.186 0.994 . . . . 0.0 110.432 175.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -61.59 -30.11 70.47 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.8 1.24 . . . . 0.0 112.436 176.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.8 t60 -72.16 -64.31 0.97 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.412 1.085 . . . . 0.0 110.91 176.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 11.7 t -54.02 -34.96 61.33 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 114.53 1.308 . . . . 0.0 114.53 -176.224 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -69.25 -11.33 60.71 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -139.62 0.92 2.27 Favored Glycine 0 CA--C 1.538 1.509 0 N-CA-C 117.001 1.561 . . . . 0.0 117.001 -177.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 52.9 t -57.34 141.83 45.67 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.341 1.57 . . . . 0.0 113.156 -178.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -74.58 -9.69 58.82 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.09 1.756 . . . . 0.0 112.908 177.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 20.5 mtm180 -120.08 -59.58 1.78 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.248 1.819 . . . . 0.0 113.644 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 52.8 mtpt 56.72 -164.89 0.15 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.555 1.142 . . . . 0.0 110.781 -169.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 17.4 p -56.05 -46.1 79.03 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.726 -1.234 . . . . 0.0 112.642 178.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 11.4 p30 -62.08 -28.47 69.63 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -91.55 -7.71 64.72 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 125.196 1.379 . . . . 0.0 113.887 177.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 87.08 17.94 58.51 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.545 1.545 . . . . 0.0 115.881 177.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 24.5 t -61.93 117.44 29.09 Favored Pre-proline 0 CA--C 1.553 1.061 0 CA-C-N 118.829 1.315 . . . . 0.0 112.382 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -57.13 -39.79 88.09 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.3 2.666 . . . . 0.0 113.692 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 60.7 t -58.8 -63.09 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.282 1.033 . . . . 0.0 109.97 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 41.2 m -53.34 -52.89 57.72 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.773 1.629 . . . . 0.0 111.927 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.3 -50.16 65.49 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.98 0.912 . . . . 0.0 111.438 178.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -66.2 -30.32 70.76 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 178.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.95 -49.66 69.47 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 118.778 0.717 . . . . 0.0 109.078 172.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 31.2 mm -60.96 -31.99 51.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.654 1.182 . . . . 0.0 111.779 177.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -56.53 -45.64 81.02 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 120.362 1.437 . . . . 0.0 111.577 175.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 7.2 mp -69.47 -37.74 77.43 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.892 0.877 . . . . 0.0 110.962 175.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 84.6 m -60.3 -38.05 82.45 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 118.852 0.751 . . . . 0.0 110.697 173.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 95.9 m -67.07 -48.52 68.01 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.395 1.078 . . . . 0.0 111.27 176.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 29.1 t80 -58.06 -40.31 80.68 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.375 0.534 . . . . 0.0 110.839 176.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 46.6 t60 -61.67 -59.69 4.8 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.122 0.969 . . . . 0.0 110.053 174.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -53.18 -31.53 43.28 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.087 1.755 . . . . 0.0 114.672 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -57.25 -47.35 81.59 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.802 1.641 . . . . 0.0 111.103 177.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 44.5 m80 -90.15 -27.91 19.28 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.488 1.915 . . . . 0.0 114.611 -178.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 17.9 t -63.82 149.83 46.08 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.881 1.272 . . . . 0.0 113.86 -177.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -138.86 1.07 2.04 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 127.363 2.265 . . . . 0.0 113.236 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.29 106.03 4.94 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.288 1.435 . . . . 0.0 110.063 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.24 -25.05 12.8 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.332 1.453 . . . . 0.0 114.594 -177.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 97.4 mttt -130.0 33.52 4.38 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.553 1.941 . . . . 0.0 112.727 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 12.1 t -43.57 134.44 3.6 Favored Pre-proline 0 CA--C 1.556 1.175 0 C-N-CA 126.999 2.119 . . . . 0.0 113.407 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -64.34 -23.8 65.24 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 123.227 2.618 . . . . 0.0 114.735 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 96.9 t -66.4 123.3 85.15 Favored Pre-proline 0 N--CA 1.476 0.837 0 C-N-CA 124.18 0.992 . . . . 0.0 108.991 177.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -64.09 -44.85 11.4 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.919 2.413 . . . . 0.0 114.666 -174.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -75.46 -30.34 59.93 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.093 1.145 . . . . 0.0 114.093 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 41.0 t -41.36 -67.5 0.25 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.567 1.947 . . . . 0.0 113.046 -177.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 51.0 mt -55.36 -36.7 66.6 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.475 1.11 . . . . 0.0 113.751 -179.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -64.02 -48.89 74.56 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.64 0.655 . . . . 0.0 109.715 175.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 14.0 mm -58.64 -47.75 87.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 119.005 -0.521 . . . . 0.0 110.6 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -52.14 -45.66 65.07 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 119.419 1.008 . . . . 0.0 111.649 177.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 54.4 t60 -62.36 -50.65 70.74 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.903 0.881 . . . . 0.0 111.17 176.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -54.77 -40.11 69.06 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.424 1.49 . . . . 0.0 111.925 176.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 3.0 mp -60.23 -41.37 92.98 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.611 1.565 . . . . 0.0 112.618 177.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -78.54 -27.37 45.92 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 118.883 0.765 . . . . 0.0 112.226 176.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -63.11 -19.59 64.58 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.761 1.225 . . . . 0.0 112.464 178.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -64.17 -20.22 65.86 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.287 1.435 . . . . 0.0 112.754 175.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 19.8 pt20 . . . . . 0 C--O 1.239 0.509 0 C-N-CA 126.587 1.955 . . . . 0.0 111.568 -179.525 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 81.3 p . . . . . 0 N--CA 1.472 0.656 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -66.73 -17.18 64.73 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.545 1.538 . . . . 0.0 114.372 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 28.1 ptm -147.16 168.2 22.23 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.164 1.786 . . . . 0.0 112.139 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.91 163.32 65.98 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 124.458 1.103 . . . . 0.0 113.148 178.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -77.24 -179.55 5.54 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 124.975 3.783 . . . . 0.0 106.621 169.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -119.13 165.32 14.32 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.321 1.048 . . . . 0.0 111.006 175.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -153.36 136.86 10.18 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 124.649 1.18 . . . . 0.0 110.687 -178.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -68.31 -14.7 40.94 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 122.416 2.078 . . . . 0.0 115.132 -177.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -95.56 -12.98 24.83 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.656 1.182 . . . . 0.0 113.865 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -57.94 -37.15 73.6 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.438 1.017 . . . . 0.0 113.651 -174.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -58.76 -40.27 83.4 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.17 1.788 . . . . 0.0 112.034 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.38 -20.69 60.69 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 177.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 12.5 t -82.5 -48.86 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.316 1.046 . . . . 0.0 110.657 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 71.2 m -51.32 -36.69 43.83 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 -177.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -67.79 -24.39 65.31 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 8.2 mt -90.11 -54.31 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 126.629 1.971 . . . . 0.0 109.725 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -152.43 100.89 2.77 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 126.953 2.101 . . . . 0.0 111.57 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.11 172.87 15.52 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 122.537 2.158 . . . . 0.0 111.392 177.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -69.46 -21.46 63.72 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.774 -1.204 . . . . 0.0 114.12 -178.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 19.9 m -78.45 -43.91 25.99 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.388 1.475 . . . . 0.0 114.684 -177.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 32.9 m -143.58 157.03 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 124.999 1.32 . . . . 0.0 112.713 -177.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 34.3 mtp -82.72 65.5 7.88 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.875 0.87 . . . . 0.0 111.24 175.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 37.3 tp -52.0 -25.82 9.3 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.189 1.796 . . . . 0.0 113.696 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.83 -13.64 6.76 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.235 1.414 . . . . 0.0 114.339 175.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.9 p -73.57 -17.31 17.49 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 124.097 0.959 . . . . 0.0 111.73 173.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -130.69 -30.84 1.82 Allowed 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 -177.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.69 167.56 21.56 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 120.661 1.573 . . . . 0.0 112.871 178.348 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.4 108.07 0.98 Allowed Glycine 0 CA--C 1.533 1.203 0 C-N-CA 125.438 1.494 . . . . 0.0 113.821 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 20.1 mt -60.14 128.3 20.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.824 1.25 . . . . 0.0 110.681 177.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -72.51 42.68 0.1 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 127.834 2.454 . . . . 0.0 114.427 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 43.2 tp -50.15 -25.36 3.47 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.133 1.773 . . . . 0.0 113.745 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 38.8 mt -51.78 -23.54 4.79 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 128.12 2.568 . . . . 0.0 113.47 175.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.0 t -67.17 -14.49 62.96 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.404 1.882 . . . . 0.0 114.877 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.43 160.85 38.8 Favored Pre-proline 0 CA--C 1.553 1.09 0 C-N-CA 125.127 1.371 . . . . 0.0 112.692 179.258 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -67.21 150.52 81.74 Favored 'Trans proline' 0 CA--C 1.546 1.112 0 C-N-CA 122.399 2.066 . . . . 0.0 111.856 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -69.04 -27.1 30.32 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.027 2.485 . . . . 0.0 113.58 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -154.61 150.19 21.38 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 126.69 1.996 . . . . 0.0 109.656 176.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.87 -20.0 52.05 Favored 'Trans proline' 0 CA--C 1.542 0.877 0 C-N-CA 122.984 2.456 . . . . 0.0 113.7 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.36 7.62 54.29 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 126.013 1.768 . . . . 0.0 114.375 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 46.9 t -65.3 134.3 95.71 Favored Pre-proline 0 N--CA 1.471 0.615 0 CA-C-N 118.812 1.306 . . . . 0.0 111.758 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -75.31 -11.74 20.93 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 122.718 2.279 . . . . 0.0 113.35 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 N--CA 1.476 0.871 0 C-N-CA 127.776 2.431 . . . . 0.0 114.055 -179.173 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 70.5 m . . . . . 0 CA--C 1.542 0.64 0 CA-C-O 119.323 -0.37 . . . . 0.0 111.792 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -61.7 -24.98 78.36 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 122.668 2.245 . . . . 0.0 113.011 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 12.8 mp0 -60.04 -43.71 95.16 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.366 1.067 . . . . 0.0 110.749 176.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.69 -49.49 76.27 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.071 0.948 . . . . 0.0 110.034 176.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 46.4 m -55.22 -49.11 72.8 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.195 0.998 . . . . 0.0 112.153 177.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 56.5 mtm180 -62.18 -48.32 80.59 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.771 0.828 . . . . 0.0 111.546 177.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -59.92 -29.22 68.23 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.983 1.313 . . . . 0.0 112.184 176.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 3.3 mp -72.97 -52.46 14.44 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.298 -0.876 . . . . 0.0 109.954 175.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 73.7 m -53.93 -50.33 66.66 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.237 -0.914 . . . . 0.0 112.545 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 17.4 tt -60.57 -48.64 87.71 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 123.513 0.725 . . . . 0.0 112.254 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -65.88 -34.87 79.14 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.599 1.09 . . . . 0.0 113.194 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -60.01 -52.69 64.31 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.658 1.183 . . . . 0.0 110.161 176.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 27.1 t -59.55 -35.59 74.53 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 122.593 0.357 . . . . 0.0 111.819 175.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 40.9 mt -63.54 -29.43 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 121.184 -0.948 . . . . 0.0 111.9 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -62.4 -45.15 94.42 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 120.359 1.436 . . . . 0.0 109.869 174.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 9.8 m -61.88 -41.26 97.66 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.0 1.32 . . . . 0.0 111.235 176.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 69.4 tp -57.27 -53.03 62.76 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.045 1.338 . . . . 0.0 110.747 175.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 95.3 t -57.02 -52.22 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.459 0.703 . . . . 0.0 110.413 177.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 41.3 t60 -52.92 -56.66 14.28 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.852 0.861 . . . . 0.0 111.459 178.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -56.82 -30.06 63.38 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 85.3 m -75.33 -13.4 60.41 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 176.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -118.46 -18.84 9.05 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.047 1.339 . . . . 0.0 114.282 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 10.9 t -63.78 116.92 6.21 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.828 1.651 . . . . 0.0 111.87 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -72.06 -18.76 61.91 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.565 1.946 . . . . 0.0 115.405 -176.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 29.2 t30 -127.38 112.46 15.04 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.761 1.224 . . . . 0.0 112.988 -175.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -58.67 -15.93 14.01 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 177.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -90.68 7.28 40.23 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 126.144 1.778 . . . . 0.0 113.508 178.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 41.8 t -45.77 133.1 8.49 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.369 2.268 . . . . 0.0 111.859 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 79.6 p -68.7 -5.5 20.71 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 116.507 2.04 . . . . 0.0 116.507 -175.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 29.4 tp -76.75 118.7 73.51 Favored Pre-proline 0 CA--C 1.551 1.008 0 CA-C-N 120.214 1.37 . . . . 0.0 111.12 179.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -49.96 -40.98 49.24 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.475 2.783 . . . . 0.0 115.066 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 88.3 p -73.59 -33.49 64.64 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 49.5 t -61.37 -51.82 67.18 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.214 1.405 . . . . 0.0 109.427 175.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -48.49 -51.12 28.75 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.68 1.592 . . . . 0.0 111.874 176.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 94.1 mttt -62.0 -53.81 50.34 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.587 1.155 . . . . 0.0 111.233 177.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 52.3 tpp -60.31 -28.57 68.23 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.931 1.293 . . . . 0.0 114.391 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -56.34 -44.16 79.77 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 120.545 -1.347 . . . . 0.0 111.281 175.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -62.04 -39.89 93.89 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.977 0.911 . . . . 0.0 111.554 176.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1802 ' ' VAL . . . . . 0.467 HG12 HD22 ' A' 1823 ' ' LEU . 58.1 t -60.78 -58.3 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 126.16 1.784 . . . . 0.0 111.426 178.504 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 7.7 p -61.56 -36.93 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 118.914 0.779 . . . . 0.0 112.069 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -65.89 -23.41 66.64 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.505 1.122 . . . . 0.0 113.302 175.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 19.2 t60 -70.87 -66.3 0.63 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.423 1.011 . . . . 0.0 110.461 177.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 10.9 t -52.92 -37.85 61.26 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 -176.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -68.61 -11.34 59.92 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -136.37 7.71 4.01 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.515 1.531 . . . . 0.0 115.812 -178.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 49.7 t -59.03 142.57 50.92 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.991 1.395 . . . . 0.0 112.516 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -71.35 -16.99 62.45 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.605 1.562 . . . . 0.0 113.608 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.47 -23.8 0.59 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 12.0 tttp 53.26 -165.39 0.08 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.161 1.784 . . . . 0.0 113.488 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 17.9 p -59.22 -28.8 67.0 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.998 1.319 . . . . 0.0 112.295 174.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 33.4 t30 -57.97 -46.35 85.28 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.335 1.454 . . . . 0.0 111.727 176.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -86.74 -8.97 75.65 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.544 1.069 . . . . 0.0 113.887 176.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 98.62 21.19 17.25 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.431 1.491 . . . . 0.0 116.315 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 12.8 t -55.3 115.06 8.28 Favored Pre-proline 0 CA--C 1.556 1.177 0 CA-C-N 119.357 1.578 . . . . 0.0 111.869 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -54.88 -48.85 19.0 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.694 2.929 . . . . 0.0 114.241 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -60.2 -49.26 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.656 1.182 . . . . 0.0 111.507 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 85.4 m -55.57 -48.62 74.48 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.297 0.953 . . . . 0.0 110.084 175.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1821 ' ' LYS . . . . . 0.405 ' HE2' ' O ' ' A' 1821 ' ' LYS . 0.1 OUTLIER -56.21 -47.36 78.55 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.36 -0.837 . . . . 0.0 111.064 177.046 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -60.02 -43.33 95.32 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.574 -0.703 . . . . 0.0 111.973 177.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1823 ' ' LEU . . . . . 0.467 HD22 HG12 ' A' 1802 ' ' VAL . 25.6 tp -64.56 -47.78 77.46 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.144 -0.973 . . . . 0.0 111.439 177.561 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 34.4 mm -61.4 -32.37 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 123.9 0.88 . . . . 0.0 111.21 176.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -57.9 -46.68 84.56 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.822 1.192 . . . . 0.0 111.175 174.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 8.0 mp -67.26 -40.69 86.25 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.954 0.901 . . . . 0.0 111.29 176.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 77.7 m -58.8 -42.58 89.41 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 118.597 0.635 . . . . 0.0 110.497 175.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 45.2 t -65.01 -50.98 64.15 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.116 1.366 . . . . 0.0 111.2 176.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 11.7 t80 -57.29 -38.4 73.9 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.715 0.806 . . . . 0.0 111.551 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 54.7 t60 -64.44 -59.67 4.06 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.179 0.992 . . . . 0.0 109.888 173.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -52.83 -32.75 46.01 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.873 1.669 . . . . 0.0 114.838 -178.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -56.37 -45.53 80.45 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.779 1.632 . . . . 0.0 111.244 177.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 43.4 m80 -90.01 -27.76 19.54 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.239 1.816 . . . . 0.0 113.743 -179.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 11.5 t -67.29 164.96 17.26 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.094 1.358 . . . . 0.0 113.15 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -154.77 -3.42 0.16 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.637 1.975 . . . . 0.0 114.674 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -69.34 116.19 9.48 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 120.807 -1.183 . . . . 0.0 110.848 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -16.83 57.85 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -177.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -129.86 29.42 4.99 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.626 1.97 . . . . 0.0 113.459 -178.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 8.9 t -49.01 134.49 14.82 Favored Pre-proline 0 CA--C 1.556 1.187 0 C-N-CA 126.293 1.837 . . . . 0.0 111.57 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -64.37 -23.2 65.56 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 123.354 2.703 . . . . 0.0 115.097 -176.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 89.1 t -69.4 118.42 62.09 Favored Pre-proline 0 N--CA 1.474 0.756 0 C-N-CA 124.361 1.064 . . . . 0.0 108.528 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -64.52 -38.11 34.62 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.511 2.141 . . . . 0.0 113.801 -176.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -74.43 -29.23 61.4 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 118.286 -0.864 . . . . 0.0 113.302 179.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 37.6 t -49.76 -66.32 0.41 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.19 1.396 . . . . 0.0 111.187 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 69.4 mt -51.64 -41.3 61.21 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.728 1.611 . . . . 0.0 113.5 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -61.5 -50.56 72.22 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.601 0.761 . . . . 0.0 110.114 176.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 7.9 mm -59.73 -46.98 92.91 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 CA-C-O 118.663 -0.684 . . . . 0.0 110.595 175.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -52.78 -46.56 67.64 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 119.825 1.193 . . . . 0.0 111.135 177.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 56.1 t60 -58.92 -49.13 78.98 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.175 0.99 . . . . 0.0 111.358 176.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 14.4 mptt -56.83 -44.39 82.03 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.753 1.221 . . . . 0.0 111.563 175.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 5.0 mp -57.51 -34.4 69.06 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.136 1.374 . . . . 0.0 112.721 177.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 59.1 mmt-85 -73.56 -14.96 61.29 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 113.807 1.039 . . . . 0.0 113.807 176.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 -82.51 -7.54 59.64 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -64.69 162.29 16.12 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.809 1.244 . . . . 0.0 112.987 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 23.8 mm100 . . . . . 0 N--CA 1.471 0.614 0 C-N-CA 124.891 1.277 . . . . 0.0 112.229 178.867 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 35.5 m . . . . . 0 CA--C 1.541 0.609 0 N-CA-C 113.979 1.104 . . . . 0.0 113.979 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -145.19 172.14 13.54 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.397 1.879 . . . . 0.0 112.373 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 25.7 ptp -68.75 168.21 13.78 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.811 1.244 . . . . 0.0 112.816 177.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.79 152.14 87.36 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 124.04 0.936 . . . . 0.0 113.109 178.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -80.53 -120.06 0.01 OUTLIER 'Trans proline' 0 CA--C 1.551 1.346 0 C-N-CA 124.053 3.169 . . . . 0.0 109.295 176.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -153.11 169.45 22.92 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.46 1.504 . . . . 0.0 111.419 176.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -155.41 151.76 23.19 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 125.99 1.716 . . . . 0.0 110.424 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -74.13 -9.03 21.7 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.402 2.068 . . . . 0.0 114.587 -177.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -87.57 -30.2 20.71 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.363 -0.836 . . . . 0.0 113.22 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -60.26 -27.49 67.29 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.328 1.051 . . . . 0.0 112.416 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -59.57 -38.68 81.79 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.105 1.762 . . . . 0.0 111.207 175.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.64 -43.9 21.95 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.344 1.058 . . . . 0.0 110.738 175.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 46.3 t -58.32 -36.75 59.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 O-C-N 121.486 -0.759 . . . . 0.0 111.353 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 66.7 m -59.42 -24.54 63.57 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 115.773 1.768 . . . . 0.0 115.773 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -90.03 -22.37 21.9 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.95 1.25 . . . . 0.0 112.515 175.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 10.7 mt -90.32 -54.03 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 126.073 1.749 . . . . 0.0 112.383 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -143.83 75.43 16.05 Favored Pre-proline 0 CA--C 1.556 1.19 0 C-N-CA 127.221 2.208 . . . . 0.0 111.312 -178.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -65.15 171.17 9.4 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 122.17 1.913 . . . . 0.0 113.107 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -63.66 -19.9 65.27 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 120.982 -1.074 . . . . 0.0 113.796 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 22.1 p -78.66 -52.76 7.96 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.19 1.796 . . . . 0.0 113.378 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 35.4 m -144.38 160.28 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 125.631 1.572 . . . . 0.0 113.874 -176.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 83.7 mtp -87.5 66.53 9.06 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.056 0.942 . . . . 0.0 108.877 172.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 12.0 tp -48.31 -27.67 2.66 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.219 1.808 . . . . 0.0 115.63 -173.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.3 -21.14 13.47 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 176.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 6.3 p -68.2 -17.56 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 O-C-N 121.015 -1.053 . . . . 0.0 112.272 175.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -133.15 -1.24 3.26 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.399 1.88 . . . . 0.0 115.206 -178.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -134.74 146.41 49.39 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.68 1.592 . . . . 0.0 111.982 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -99.85 145.49 17.43 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.949 1.261 . . . . 0.0 113.645 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 38.7 mt -80.55 152.45 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.415 1.486 . . . . 0.0 111.847 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 47.1 p-10 -69.11 27.18 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 128.552 2.741 . . . . 0.0 116.015 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 27.5 tp -53.47 -23.62 10.69 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.694 1.998 . . . . 0.0 113.151 178.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.417 ' HG ' ' H ' ' B' ' 81' ' ' LEU . 34.9 mt -45.0 -27.11 0.5 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 129.244 3.018 . . . . 0.0 113.995 177.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.4 t -68.26 -13.37 62.2 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.211 1.804 . . . . 0.0 114.945 178.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.0 162.67 28.55 Favored Pre-proline 0 CA--C 1.555 1.145 0 C-N-CA 124.436 1.094 . . . . 0.0 113.917 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -56.95 152.92 40.64 Favored 'Trans proline' 0 CA--C 1.547 1.166 0 C-N-CA 123.662 2.908 . . . . 0.0 114.46 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -72.48 170.97 18.06 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 123.551 2.834 . . . . 0.0 112.616 178.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.05 150.41 88.53 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 124.14 0.976 . . . . 0.0 112.434 178.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -73.43 -14.59 25.14 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 123.456 2.771 . . . . 0.0 114.5 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 179.98 -179.25 48.81 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 125.204 1.383 . . . . 0.0 113.203 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 38.0 m -68.86 152.35 96.81 Favored Pre-proline 0 N--CA 1.472 0.633 0 C-N-CA 125.089 1.356 . . . . 0.0 111.55 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -74.4 -11.48 22.67 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 122.815 2.343 . . . . 0.0 114.535 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 . . . . . 0 N--CA 1.47 0.56 0 C-N-CA 125.816 1.647 . . . . 0.0 112.09 -179.752 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 68.8 m . . . . . 0 CA--C 1.543 0.698 0 CA-C-O 119.318 -0.372 . . . . 0.0 111.736 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -48.23 -45.54 25.63 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 124.326 3.35 . . . . 0.0 114.512 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -54.2 -50.23 67.56 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.566 1.146 . . . . 0.0 111.498 177.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -61.5 -51.07 70.15 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.833 0.853 . . . . 0.0 111.044 177.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 66.6 m -53.94 -44.53 70.75 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.789 0.836 . . . . 0.0 112.309 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -62.88 -52.72 62.0 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.364 1.466 . . . . 0.0 111.174 176.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -58.94 -31.72 68.94 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.841 1.657 . . . . 0.0 112.312 178.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 6.2 mp -73.46 -52.74 12.6 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.191 0.996 . . . . 0.0 109.695 174.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 37.8 m -52.17 -51.12 59.95 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.711 0.804 . . . . 0.0 112.692 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 16.7 tt -61.14 -50.43 80.54 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 124.098 0.959 . . . . 0.0 112.393 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -64.3 -39.28 93.61 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.608 1.094 . . . . 0.0 112.639 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 15.3 mmp_? -60.09 -54.06 50.36 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.415 1.086 . . . . 0.0 110.026 176.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 33.6 t -55.53 -38.83 69.77 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.134 0.574 . . . . 0.0 111.774 176.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 40.7 mt -64.83 -28.81 45.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 O-C-N 121.161 -0.962 . . . . 0.0 112.662 176.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -63.39 -46.37 86.75 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 120.651 1.568 . . . . 0.0 109.853 173.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 51.1 m -60.21 -38.76 84.32 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.983 1.313 . . . . 0.0 111.78 176.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 64.1 tp -60.5 -50.87 71.82 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.892 1.277 . . . . 0.0 110.556 176.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 95.2 t -56.37 -48.14 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.589 177.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 27.2 t60 -52.05 -58.21 7.22 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.01 0.823 . . . . 0.0 110.884 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.33 -28.46 63.12 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 97.1 m -78.12 -14.19 59.57 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 177.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -120.01 -14.1 8.93 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 9.2 t -59.28 121.64 11.89 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.693 1.597 . . . . 0.0 111.992 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -76.2 -13.8 60.17 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.777 2.031 . . . . 0.0 115.388 -175.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 30.3 t30 -131.55 111.6 11.89 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.819 1.247 . . . . 0.0 112.712 -176.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -57.63 -17.23 13.47 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 177.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -89.25 4.47 48.61 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.041 1.737 . . . . 0.0 113.8 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 49.5 t -46.35 123.85 5.19 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.961 2.104 . . . . 0.0 111.864 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 78.8 p -77.57 -1.53 31.16 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -176.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 16.2 tp -65.59 131.21 94.76 Favored Pre-proline 0 CA--C 1.548 0.894 0 CA-C-N 119.994 1.27 . . . . 0.0 110.505 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -54.92 -43.11 62.52 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 122.607 2.205 . . . . 0.0 113.095 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 68.6 m -62.47 -49.34 75.81 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.315 1.446 . . . . 0.0 112.748 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 12.9 t -56.5 -51.54 68.12 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.054 1.342 . . . . 0.0 110.118 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -55.11 -47.72 74.6 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.668 1.187 . . . . 0.0 112.742 177.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -57.38 -52.38 65.61 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 118.957 0.799 . . . . 0.0 111.178 176.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -44.17 77.65 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.938 0.895 . . . . 0.0 112.735 177.103 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -50.34 -36.8 33.73 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.963 0.801 . . . . 0.0 113.119 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -60.71 -57.82 11.1 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.652 1.114 . . . . 0.0 111.635 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 24.6 m -65.29 -34.39 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 118.529 0.604 . . . . 0.0 112.572 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 30.0 t -62.08 -50.19 81.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.808 1.243 . . . . 0.0 110.157 175.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -62.77 -28.64 70.12 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.788 0.835 . . . . 0.0 112.061 176.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 10.0 t60 -69.1 -65.72 0.67 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.678 0.791 . . . . 0.0 110.419 175.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 13.6 t -53.63 -35.08 60.56 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -175.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -73.53 -14.76 61.27 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 178.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -125.1 -9.68 5.03 Favored Glycine 0 CA--C 1.537 1.457 0 N-CA-C 116.479 1.351 . . . . 0.0 116.479 -177.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 47.6 t -58.59 144.24 43.56 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.218 1.407 . . . . 0.0 112.499 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 98.5 mttt -102.31 -4.5 25.52 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.508 1.923 . . . . 0.0 112.878 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -103.7 -58.73 1.83 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.446 1.898 . . . . 0.0 110.319 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 45.5 mtpt 54.54 177.37 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 128.522 2.729 . . . . 0.0 114.911 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 75.4 p -57.99 -37.41 74.19 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 120.667 -1.271 . . . . 0.0 113.453 -178.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -64.58 -24.29 67.55 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.226 1.011 . . . . 0.0 113.162 177.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -96.57 -21.31 22.13 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.916 1.246 . . . . 0.0 113.227 176.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 114.67 13.22 9.67 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 125.736 1.636 . . . . 0.0 115.798 179.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 20.7 t -60.38 120.89 55.87 Favored Pre-proline 0 CA--C 1.551 1.011 0 CA-C-N 119.254 1.527 . . . . 0.0 112.14 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -67.34 -39.95 11.87 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 123.041 2.494 . . . . 0.0 113.708 -178.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 61.5 t -58.0 -56.76 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.531 1.059 . . . . 0.0 110.725 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 56.2 m -53.52 -45.12 69.64 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.792 1.237 . . . . 0.0 110.53 177.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -41.85 78.22 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 118.466 -0.778 . . . . 0.0 112.473 177.158 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -61.4 -41.38 97.04 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.338 0.972 . . . . 0.0 111.372 178.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 6.1 mt -65.88 -53.33 41.01 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 122.927 0.491 . . . . 0.0 111.408 175.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 27.0 mm -58.05 -37.74 63.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 123.382 0.673 . . . . 0.0 112.26 -179.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -55.4 -49.6 71.95 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.59 1.087 . . . . 0.0 111.73 176.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 5.2 mp -68.16 -37.22 80.77 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.921 0.888 . . . . 0.0 111.579 177.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 76.2 m -60.5 -40.11 90.16 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.039 0.836 . . . . 0.0 110.656 174.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 84.7 m -64.89 -49.26 71.14 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.028 0.931 . . . . 0.0 111.333 176.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 38.5 t80 -60.12 -38.37 82.84 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.944 -0.473 . . . . 0.0 111.701 177.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 41.1 t60 -62.45 -58.41 7.73 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.107 0.963 . . . . 0.0 109.94 174.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -53.63 -30.47 43.0 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.69 1.596 . . . . 0.0 114.76 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -57.48 -47.23 82.43 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.468 1.507 . . . . 0.0 110.995 177.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 46.6 m80 -90.04 -27.45 19.71 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.603 1.961 . . . . 0.0 114.666 -178.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1834 ' ' CYS . . . . . 0.466 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 9.4 t -64.52 150.5 46.59 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.792 1.237 . . . . 0.0 113.567 -177.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -137.47 -3.78 1.89 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.372 1.869 . . . . 0.0 114.208 -178.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -75.72 113.39 13.13 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.738 -1.226 . . . . 0.0 111.613 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 36.1 t30 -60.35 -15.22 23.67 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -178.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -130.59 30.64 4.66 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 127.016 2.126 . . . . 0.0 113.279 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 33.3 t -48.82 134.68 14.12 Favored Pre-proline 0 CA--C 1.559 1.306 0 C-N-CA 126.172 1.789 . . . . 0.0 112.976 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -66.14 -21.9 54.97 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 123.587 2.858 . . . . 0.0 115.522 -177.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 75.9 t -65.16 116.61 31.87 Favored Pre-proline 0 N--CA 1.477 0.878 0 C-N-CA 124.553 1.141 . . . . 0.0 109.698 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -49.32 -50.46 12.89 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 124.114 3.209 . . . . 0.0 116.193 -176.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -78.55 -27.16 45.84 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -176.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 52.0 t -42.67 -67.65 0.25 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.456 1.902 . . . . 0.0 113.051 -177.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 63.3 mt -53.33 -35.75 60.53 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.481 1.512 . . . . 0.0 113.946 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -66.09 -48.96 69.21 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.514 0.597 . . . . 0.0 110.061 175.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 11.9 mm -58.17 -46.36 88.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 123.134 0.574 . . . . 0.0 110.669 176.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1848 ' ' LYS . . . . . 0.466 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 68.1 mttt -51.45 -44.54 62.41 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.347 0.976 . . . . 0.0 112.082 177.131 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 60.8 t60 -63.59 -51.98 62.98 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.434 0.694 . . . . 0.0 110.724 176.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 10.4 mptt -51.57 -41.22 61.0 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.181 1.393 . . . . 0.0 111.707 176.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 3.0 mp -60.18 -22.21 62.65 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.368 1.867 . . . . 0.0 115.145 177.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -104.29 -28.53 11.35 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.915 1.286 . . . . 0.0 111.579 175.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -72.12 -30.02 64.65 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.679 1.591 . . . . 0.0 112.522 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -63.07 167.41 4.93 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.414 1.486 . . . . 0.0 113.424 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 . . . . . 0 N--CA 1.472 0.674 0 C-N-CA 124.794 1.238 . . . . 0.0 112.084 178.033 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 78.1 p . . . . . 0 N--CA 1.47 0.563 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -128.6 45.09 2.84 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.871 2.068 . . . . 0.0 111.288 -178.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -54.66 127.92 30.23 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.215 1.806 . . . . 0.0 112.577 -178.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.7 150.13 96.57 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 124.245 1.018 . . . . 0.0 113.083 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -80.15 -120.03 0.01 OUTLIER 'Trans proline' 0 CA--C 1.551 1.365 0 C-N-CA 124.247 3.298 . . . . 0.0 108.991 175.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -151.54 169.13 22.83 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.432 1.493 . . . . 0.0 111.42 176.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -152.57 135.56 9.4 Favored Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 125.873 1.669 . . . . 0.0 109.833 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -65.7 -15.24 48.44 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 122.756 2.304 . . . . 0.0 115.342 -177.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -96.95 -12.96 22.72 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.784 1.234 . . . . 0.0 113.603 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.09 -31.56 67.23 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -172.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -65.42 -42.8 92.12 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.606 1.162 . . . . 0.0 110.931 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.55 -25.12 65.65 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.344 1.058 . . . . 0.0 113.188 177.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 22.3 t -82.29 -47.4 19.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.399 1.08 . . . . 0.0 110.173 175.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 53.2 m -53.27 -37.82 62.5 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.687 1.595 . . . . 0.0 114.321 -176.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -67.6 -24.53 65.5 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 16.8 mt -90.04 -55.7 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 127.165 2.186 . . . . 0.0 110.443 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -150.36 98.78 3.25 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 127.603 2.361 . . . . 0.0 111.64 177.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -76.92 172.28 16.47 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 122.915 2.41 . . . . 0.0 111.498 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -71.52 -20.26 62.07 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 120.952 -1.093 . . . . 0.0 113.527 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 18.8 t -74.43 -47.8 31.5 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.385 1.474 . . . . 0.0 114.489 -178.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.5 m -140.24 158.59 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 124.677 1.191 . . . . 0.0 114.02 -176.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 58.8 tpp -78.4 62.51 3.05 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.394 1.478 . . . . 0.0 110.851 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 41.7 tp -56.64 -25.21 52.75 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 120.785 -1.197 . . . . 0.0 112.635 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.52 -21.2 24.54 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.972 1.309 . . . . 0.0 113.898 175.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 2.7 p -73.69 -16.38 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 119.286 0.948 . . . . 0.0 112.846 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -123.6 -19.58 5.78 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.304 1.442 . . . . 0.0 113.872 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -71.16 155.94 40.16 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.839 1.256 . . . . 0.0 111.997 177.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -142.01 90.51 0.18 Allowed Glycine 0 CA--C 1.529 0.92 0 C-N-CA 126.525 2.012 . . . . 0.0 109.879 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.33 133.09 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.422 1.489 . . . . 0.0 112.846 -176.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -59.14 8.46 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 130.12 3.368 . . . . 0.0 117.663 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 59.7 tp -55.7 -21.31 17.85 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.506 1.522 . . . . 0.0 114.382 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.11 -36.1 50.04 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.487 1.915 . . . . 0.0 114.435 -177.418 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.7 t -84.97 -7.57 59.1 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 -176.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -78.91 147.95 71.24 Favored Pre-proline 0 CA--C 1.546 0.81 0 O-C-N 121.185 -0.947 . . . . 0.0 113.363 -177.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -74.83 162.18 37.9 Favored 'Trans proline' 0 CA--C 1.549 1.231 0 C-N-CA 123.52 2.813 . . . . 0.0 112.469 177.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -57.11 -29.8 84.59 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.936 3.091 . . . . 0.0 114.899 178.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -142.95 154.89 62.52 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 126.887 2.075 . . . . 0.0 110.87 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -65.19 115.85 3.54 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 123.31 2.673 . . . . 0.0 111.655 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -77.43 2.93 60.78 Favored Glycine 0 CA--C 1.54 1.6 0 N-CA-C 116.051 1.181 . . . . 0.0 116.051 -178.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 69.6 m -63.19 146.58 95.85 Favored Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 125.337 1.455 . . . . 0.0 111.427 178.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -73.89 -14.35 24.0 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 122.692 2.261 . . . . 0.0 114.989 -177.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 . . . . . 0 N--CA 1.472 0.658 0 C-N-CA 125.25 1.42 . . . . 0.0 111.908 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 61.1 m . . . . . 0 CA--C 1.541 0.612 0 N-CA-C 112.081 0.401 . . . . 0.0 112.081 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -50.44 -32.49 34.48 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 124.272 3.314 . . . . 0.0 115.191 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -60.38 -20.67 60.42 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.048 1.339 . . . . 0.0 113.284 177.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -58.7 -29.53 66.73 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.258 1.023 . . . . 0.0 111.704 176.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 88.9 p -57.9 -40.07 79.46 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.474 -0.766 . . . . 0.0 111.463 174.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -69.92 -41.85 74.08 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.259 1.023 . . . . 0.0 110.737 175.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -54.87 -48.98 72.25 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 119.73 1.15 . . . . 0.0 110.797 176.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 8.7 mp -66.72 -38.66 87.16 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.05 1.34 . . . . 0.0 111.656 177.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 72.1 m -69.24 -38.37 78.45 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.183 -0.948 . . . . 0.0 112.473 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 45.4 mt -57.79 -60.23 2.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 124.434 1.094 . . . . 0.0 109.429 176.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -59.05 -35.1 72.76 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -64.15 -53.6 46.89 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.893 0.877 . . . . 0.0 110.275 174.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 34.5 t -58.58 -31.85 68.41 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.475 0.71 . . . . 0.0 111.843 176.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 50.8 mt -64.49 -29.89 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 O-C-N 120.451 -1.406 . . . . 0.0 111.691 174.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -62.59 -43.54 98.57 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.369 1.441 . . . . 0.0 109.56 174.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 4.0 m -60.75 -43.9 97.39 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.989 1.715 . . . . 0.0 110.502 175.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.14 -59.27 5.34 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.126 1.771 . . . . 0.0 110.618 176.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 96.9 t -54.92 -48.16 75.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.211 1.004 . . . . 0.0 111.17 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 27.3 t60 -55.0 -59.85 4.18 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.464 0.706 . . . . 0.0 110.482 176.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.49 -28.98 63.9 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -178.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 60.9 m -73.14 -17.67 61.36 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 176.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -119.88 -14.56 8.94 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.869 1.268 . . . . 0.0 114.392 179.012 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 13.0 t -51.23 117.17 2.41 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.698 1.999 . . . . 0.0 112.21 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 66.3 mmt-85 -71.04 -5.71 33.43 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.989 1.716 . . . . 0.0 114.705 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 38.8 t30 -128.81 109.05 10.95 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.734 1.614 . . . . 0.0 112.243 -178.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.17 -13.66 8.06 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 177.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 15.9 m120 -109.3 10.24 25.66 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.195 1.798 . . . . 0.0 113.983 -178.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 49.4 t -44.05 114.59 0.69 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.179 2.192 . . . . 0.0 111.607 178.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 2.2 m -73.23 1.55 9.13 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 116.372 1.989 . . . . 0.0 116.372 -173.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 17.4 tp -62.37 126.86 88.9 Favored Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 124.802 1.241 . . . . 0.0 108.802 177.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -57.8 -34.29 98.04 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.325 2.017 . . . . 0.0 114.432 -174.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 8.3 p -66.29 -53.25 38.82 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.792 0.837 . . . . 0.0 111.031 174.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 9.8 t -56.13 -49.95 72.47 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.618 1.567 . . . . 0.0 110.869 178.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -46.94 -58.44 3.95 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.973 1.709 . . . . 0.0 111.298 175.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -63.48 -40.72 97.84 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 3.3 tpt -59.57 -41.59 90.54 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.353 0.524 . . . . 0.0 111.958 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 6.1 mptp? -54.81 -35.73 64.21 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.944 0.897 . . . . 0.0 112.598 177.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -60.78 -56.44 21.17 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.867 1.212 . . . . 0.0 111.356 176.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 16.2 m -63.85 -37.87 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 118.713 0.688 . . . . 0.0 112.442 178.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 41.4 t -60.99 -50.62 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.373 1.069 . . . . 0.0 110.692 176.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -62.83 -30.22 71.33 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.059 0.944 . . . . 0.0 112.099 176.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 5.8 t60 -68.21 -65.7 0.66 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.814 0.846 . . . . 0.0 110.356 176.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 13.4 t -53.66 -34.57 59.09 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -176.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -74.05 -10.11 59.3 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -143.22 6.86 2.03 Favored Glycine 0 CA--C 1.538 1.527 0 N-CA-C 117.415 1.726 . . . . 0.0 117.415 -176.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 41.1 t -55.81 146.76 20.72 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 119.355 1.577 . . . . 0.0 113.221 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -66.19 -23.0 66.37 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.531 1.932 . . . . 0.0 113.305 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -134.1 -30.33 1.2 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 -178.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 61.2 mtpt 55.6 -174.33 0.05 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.05 1.74 . . . . 0.0 113.883 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 9.9 p -55.99 -44.05 78.22 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.523 -1.36 . . . . 0.0 112.573 177.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -61.32 -22.0 64.49 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.403 1.081 . . . . 0.0 113.515 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -101.91 -6.25 49.39 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.82 1.676 . . . . 0.0 113.61 176.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 101.48 12.62 35.09 Favored Glycine 0 CA--C 1.537 1.446 0 N-CA-C 117.385 1.714 . . . . 0.0 117.385 176.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 14.6 t -62.71 120.41 59.8 Favored Pre-proline 0 CA--C 1.553 1.072 0 CA-C-N 120.17 1.985 . . . . 0.0 113.355 -178.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -66.44 -35.61 29.91 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.095 2.53 . . . . 0.0 114.057 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 58.6 t -62.68 -52.4 60.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 119.722 1.147 . . . . 0.0 110.199 178.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 58.3 m -55.78 -50.74 69.63 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.731 1.213 . . . . 0.0 110.097 176.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1821 ' ' LYS . . . . . 0.423 ' O ' ' HE2' ' A' 1821 ' ' LYS . 0.0 OUTLIER -53.27 -45.14 68.73 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.024 0.93 . . . . 0.0 110.903 176.868 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.62 -47.81 83.12 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.358 0.663 . . . . 0.0 112.206 177.028 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.58 -45.47 93.99 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.318 0.963 . . . . 0.0 111.048 176.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 26.9 mm -63.23 -33.98 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 123.691 0.797 . . . . 0.0 112.094 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -60.82 -39.65 89.83 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 120.413 1.46 . . . . 0.0 110.371 175.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.99 -44.71 79.68 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.865 0.866 . . . . 0.0 111.03 174.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 77.5 m -58.78 -35.94 73.62 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.7 0.8 . . . . 0.0 110.776 175.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 88.8 m -63.29 -52.61 61.26 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.962 0.905 . . . . 0.0 110.617 175.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 29.6 t80 -56.5 -42.96 79.21 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.339 0.972 . . . . 0.0 111.299 176.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 53.0 t60 -58.6 -61.58 2.49 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.07 0.548 . . . . 0.0 110.234 176.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -55.67 -32.17 63.01 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.464 1.506 . . . . 0.0 114.397 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -56.63 -48.0 78.48 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.979 1.712 . . . . 0.0 111.008 177.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 44.2 m80 -90.09 -21.22 22.4 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.412 1.885 . . . . 0.0 114.958 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1834 ' ' CYS . . . . . 0.438 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 6.8 t -65.37 165.01 12.55 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.854 1.261 . . . . 0.0 113.836 -178.071 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -153.18 -3.17 0.21 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.279 1.832 . . . . 0.0 115.111 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -73.13 128.71 36.26 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 120.778 -1.202 . . . . 0.0 112.029 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 36.3 t30 -67.83 -21.99 65.18 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -178.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -137.17 47.95 2.09 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.914 2.085 . . . . 0.0 111.722 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 11.9 t -54.99 135.41 67.18 Favored Pre-proline 0 CA--C 1.558 1.269 0 C-N-CA 125.584 1.553 . . . . 0.0 112.044 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -65.32 -19.49 61.9 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 123.478 2.785 . . . . 0.0 115.231 -177.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 81.2 t -72.02 116.56 49.75 Favored Pre-proline 0 N--CA 1.475 0.789 0 C-N-CA 124.823 1.249 . . . . 0.0 110.172 178.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -51.3 -47.71 24.67 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.953 3.102 . . . . 0.0 115.539 -178.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -76.88 -23.99 52.6 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 114.916 1.45 . . . . 0.0 114.916 -177.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 53.7 t -48.17 -67.11 0.3 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.36 1.464 . . . . 0.0 112.575 -177.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 1.3 mp -53.09 -38.95 63.01 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.095 1.358 . . . . 0.0 113.467 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -61.17 -50.1 74.52 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.59 0.756 . . . . 0.0 110.222 175.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 9.8 mm -59.78 -45.92 94.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 118.841 -0.599 . . . . 0.0 110.776 175.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1848 ' ' LYS . . . . . 0.438 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 66.1 mttt -50.97 -45.6 60.91 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 119.795 1.18 . . . . 0.0 111.055 176.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 57.2 t60 -62.32 -47.51 83.93 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.384 0.674 . . . . 0.0 111.143 175.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -54.33 -39.61 67.22 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.742 0.817 . . . . 0.0 112.026 177.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.16 -33.33 75.76 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.065 1.746 . . . . 0.0 113.775 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -85.85 -32.14 21.88 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 119.563 1.074 . . . . 0.0 113.418 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -73.56 -4.63 35.16 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -179.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -58.23 -26.19 62.57 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.208 1.403 . . . . 0.0 113.841 178.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 . . . . . 0 CA--C 1.539 0.521 0 C-N-CA 125.049 1.34 . . . . 0.0 111.447 178.942 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 42.6 m . . . . . 0 N--CA 1.47 0.559 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -67.58 -17.39 64.62 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.497 1.519 . . . . 0.0 114.13 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 25.3 ptp -147.19 172.01 14.47 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.745 2.018 . . . . 0.0 111.416 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.49 140.46 96.7 Favored Pre-proline 0 CA--C 1.553 1.086 0 C-N-CA 123.854 0.862 . . . . 0.0 112.51 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.58 -61.91 0.05 OUTLIER 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 123.548 2.832 . . . . 0.0 112.679 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -161.91 175.6 11.69 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 128.241 2.617 . . . . 0.0 110.273 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -145.89 130.06 8.68 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 124.95 1.3 . . . . 0.0 109.926 176.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -63.34 -19.17 67.68 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 122.685 2.257 . . . . 0.0 115.289 -175.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -82.12 -16.0 51.42 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.452 -0.78 . . . . 0.0 112.86 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -60.52 -30.28 69.64 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.619 1.1 . . . . 0.0 113.951 -176.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -64.17 -45.69 87.3 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.419 1.088 . . . . 0.0 111.019 177.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.44 -48.41 70.07 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.868 1.267 . . . . 0.0 110.893 176.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 74.0 t -52.86 -45.97 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.049 0.94 . . . . 0.0 110.065 176.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 71.1 m -58.86 -29.28 66.85 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -75.5 -20.74 58.55 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 120.647 1.567 . . . . 0.0 112.585 176.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 5.7 mt -90.19 -53.23 9.45 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 C-N-CA 125.458 1.503 . . . . 0.0 110.092 176.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -149.26 93.09 4.17 Favored Pre-proline 0 CA--C 1.558 1.285 0 C-N-CA 127.244 2.218 . . . . 0.0 111.87 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -75.74 171.24 18.56 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 124.283 3.322 . . . . 0.0 113.783 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -67.51 -19.56 65.32 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 23.1 p -75.49 -51.51 12.82 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.566 1.547 . . . . 0.0 113.247 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 35.1 m -144.47 157.27 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 125.737 1.615 . . . . 0.0 113.19 -177.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 8.1 tpt -74.38 52.75 0.49 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.966 2.106 . . . . 0.0 111.984 175.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 28.0 tp -45.68 -28.46 1.01 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 127.797 2.439 . . . . 0.0 115.603 -174.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.56 -16.75 17.01 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.529 1.132 . . . . 0.0 113.817 175.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 4.1 p -73.38 -14.72 16.78 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 C-N-CA 124.555 1.142 . . . . 0.0 112.343 174.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -131.86 -30.14 1.63 Allowed 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.23 169.16 18.82 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 120.231 1.378 . . . . 0.0 112.213 177.379 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.95 114.82 1.18 Allowed Glycine 0 CA--C 1.53 1.002 0 C-N-CA 124.1 0.857 . . . . 0.0 113.946 -177.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 67.1 mt -66.02 112.92 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 125.107 1.363 . . . . 0.0 109.512 176.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -76.29 67.23 2.51 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.802 1.241 . . . . 0.0 110.568 176.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 59.5 tp -53.47 -24.87 14.13 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 127.284 2.234 . . . . 0.0 113.285 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 16.1 mt -55.78 -22.02 22.19 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 127.877 2.471 . . . . 0.0 112.891 176.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.7 t -67.43 -14.01 62.54 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.468 1.907 . . . . 0.0 115.257 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -49.85 148.98 5.0 Favored Pre-proline 0 CA--C 1.55 0.977 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 -176.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -67.54 120.37 7.4 Favored 'Trans proline' 0 CA--C 1.547 1.128 0 C-N-CA 123.099 2.533 . . . . 0.0 111.719 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -76.37 174.98 11.93 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 123.422 2.748 . . . . 0.0 112.443 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -132.25 71.23 79.77 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 125.229 1.412 . . . . 0.0 111.602 178.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -70.17 -11.45 30.32 Favored 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 123.747 2.964 . . . . 0.0 114.499 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -81.71 6.62 64.95 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.58 1.562 . . . . 0.0 115.195 178.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 31.5 p -51.91 108.29 1.03 Allowed Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 127.817 2.447 . . . . 0.0 112.657 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -53.91 -34.26 75.43 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.601 2.868 . . . . 0.0 115.677 -177.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 . . . . . 0 N--CA 1.471 0.581 0 C-N-CA 124.924 1.29 . . . . 0.0 111.625 178.357 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 . . . . . 0 N--CA 1.476 0.866 0 N-CA-C 111.695 0.258 . . . . 0.0 111.695 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 6.5 mp -66.23 -43.42 86.65 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.514 1.126 . . . . 0.0 110.828 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 60.0 m -61.54 -43.0 99.65 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.491 -0.755 . . . . 0.0 111.136 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 52.6 mt -56.64 -61.59 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 124.784 1.233 . . . . 0.0 110.437 175.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -61.54 -34.01 74.81 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -178.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 71.5 mmt-85 -63.37 -49.9 72.02 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.081 0.855 . . . . 0.0 110.459 175.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 17.8 t -62.63 -31.97 72.92 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.287 0.635 . . . . 0.0 111.864 176.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 48.9 mt -64.66 -27.64 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 120.564 -1.335 . . . . 0.0 112.052 175.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -66.25 -40.02 89.91 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 120.456 -1.403 . . . . 0.0 109.363 173.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 3.3 m -63.16 -39.89 95.97 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.773 1.629 . . . . 0.0 110.951 175.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 54.9 tp -57.36 -57.75 11.28 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.271 1.428 . . . . 0.0 109.694 174.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 98.6 t -54.58 -51.42 50.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-O 118.36 -0.828 . . . . 0.0 110.439 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 18.2 t60 -51.29 -61.88 1.96 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.032 0.933 . . . . 0.0 111.033 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.45 -25.95 60.45 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -178.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 69.5 m -80.55 -14.8 57.92 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.236 1.015 . . . . 0.0 113.702 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -120.04 -12.45 9.12 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.201 1.4 . . . . 0.0 114.689 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 19.8 t -54.52 120.38 6.57 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 127.353 2.261 . . . . 0.0 111.913 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -68.69 -7.72 35.99 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.98 2.112 . . . . 0.0 116.384 -176.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 33.6 t30 -140.19 115.23 9.72 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.88 1.272 . . . . 0.0 112.464 -177.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -58.82 -17.26 22.05 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -95.19 6.94 47.66 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 126.68 1.992 . . . . 0.0 114.269 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 46.8 t -44.23 125.34 4.48 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.814 2.046 . . . . 0.0 113.152 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 38.7 m -79.77 -5.23 54.92 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -176.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.04 116.34 23.95 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 126.31 1.844 . . . . 0.0 108.506 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -47.35 -41.94 28.16 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.655 2.904 . . . . 0.0 115.356 -175.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 19.9 m -66.92 -42.78 84.78 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.394 0.677 . . . . 0.0 112.013 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 32.6 t -61.85 -50.98 70.08 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.474 1.51 . . . . 0.0 109.359 176.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -50.25 -50.22 50.7 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.546 1.138 . . . . 0.0 112.164 176.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 81.5 mttt -63.5 -46.44 86.11 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.286 1.034 . . . . 0.0 111.365 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 3.1 tpt -59.33 -41.18 88.55 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.232 1.013 . . . . 0.0 112.768 177.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -50.38 -39.66 47.35 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.23 1.412 . . . . 0.0 112.81 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -59.57 -58.19 9.67 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.255 0.934 . . . . 0.0 111.948 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 17.2 m -63.4 -36.77 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 118.437 0.562 . . . . 0.0 112.443 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 44.6 t -61.64 -50.67 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.24 1.016 . . . . 0.0 110.298 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -62.99 -30.32 71.5 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.211 1.004 . . . . 0.0 112.217 176.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 7.9 t60 -68.19 -66.4 0.57 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.926 0.891 . . . . 0.0 110.131 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 6.6 t -55.32 -34.05 63.84 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.873 1.435 . . . . 0.0 114.873 -175.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -71.07 -16.17 62.57 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -122.23 -12.88 5.06 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.119 1.342 . . . . 0.0 115.993 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 38.6 t -58.0 115.82 3.12 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.537 1.535 . . . . 0.0 111.992 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -71.34 -8.37 53.28 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.365 1.466 . . . . 0.0 113.324 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -106.89 -60.97 1.6 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.897 2.079 . . . . 0.0 111.13 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1812 ' ' LYS . . . . . . . . . . . . 0.307 2.7 ptpp? 46.08 -166.39 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 128.441 2.696 . . . . 0.0 114.804 -175.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 40.1 p -56.35 -30.19 62.34 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 120.693 -1.254 . . . . 0.0 113.105 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -60.21 -40.3 89.62 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.04 1.336 . . . . 0.0 112.141 176.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -96.08 -5.3 59.61 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.465 1.507 . . . . 0.0 114.555 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 99.6 13.29 38.44 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.371 1.462 . . . . 0.0 116.552 178.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 33.3 t -58.34 121.49 52.58 Favored Pre-proline 0 CA--C 1.553 1.086 0 CA-C-N 119.423 1.612 . . . . 0.0 111.83 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -66.81 -39.2 15.35 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 123.026 2.484 . . . . 0.0 114.204 -178.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 78.8 t -56.11 -58.48 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 124.602 1.161 . . . . 0.0 111.267 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 32.4 m -52.73 -43.13 65.5 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.708 1.603 . . . . 0.0 111.168 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.84 -46.0 90.64 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.632 1.173 . . . . 0.0 111.292 176.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -58.76 -42.78 89.72 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.294 0.952 . . . . 0.0 111.336 178.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -51.97 61.72 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.383 0.611 . . . . 0.0 111.053 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 53.0 mt -61.92 -30.54 48.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 125.138 1.375 . . . . 0.0 112.514 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.49 90.5 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.012 1.278 . . . . 0.0 111.227 175.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 6.0 mp -70.24 -39.21 75.17 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.338 1.055 . . . . 0.0 111.047 175.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 85.9 m -59.62 -38.3 80.95 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.416 0.553 . . . . 0.0 110.534 173.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 49.2 t -64.8 -51.93 59.56 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.903 1.281 . . . . 0.0 110.935 176.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 35.5 t80 -54.95 -44.96 74.81 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.167 0.587 . . . . 0.0 111.046 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 58.1 t60 -58.14 -60.72 3.3 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.796 0.839 . . . . 0.0 110.414 175.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -55.2 -33.57 63.16 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.533 1.533 . . . . 0.0 114.844 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -56.03 -44.17 78.5 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.821 1.648 . . . . 0.0 110.851 177.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -90.22 -27.63 19.39 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.75 1.62 . . . . 0.0 114.842 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 12.3 t -66.24 165.17 14.37 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.178 1.391 . . . . 0.0 112.994 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -153.16 -3.17 0.21 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.74 2.016 . . . . 0.0 114.783 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -71.85 113.47 8.91 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 120.771 -1.206 . . . . 0.0 111.098 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 31.7 t30 -61.24 -14.04 23.07 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -131.88 28.71 4.5 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.888 2.075 . . . . 0.0 113.534 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 7.8 t -48.73 136.4 13.26 Favored Pre-proline 0 CA--C 1.557 1.236 0 C-N-CA 126.549 1.939 . . . . 0.0 112.1 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -63.51 -23.64 70.75 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 123.41 2.74 . . . . 0.0 114.825 -177.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 95.3 t -69.94 121.81 84.02 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 124.622 1.169 . . . . 0.0 108.963 176.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -64.48 -43.62 13.32 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.718 2.279 . . . . 0.0 114.203 -175.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -70.62 -29.94 66.46 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 40.5 t -46.7 -65.62 0.53 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.6 1.56 . . . . 0.0 111.747 -178.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 58.3 mt -53.03 -38.28 62.27 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.142 1.377 . . . . 0.0 113.617 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -63.57 -51.61 64.64 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.52 0.6 . . . . 0.0 109.73 176.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 11.3 mm -58.15 -46.27 88.46 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-O 118.863 -0.589 . . . . 0.0 110.88 177.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -51.25 -44.66 61.8 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 119.742 1.155 . . . . 0.0 111.771 176.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 53.8 t60 -68.4 -36.51 79.22 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.931 0.892 . . . . 0.0 112.837 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -68.54 -41.28 80.08 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.506 1.523 . . . . 0.0 111.475 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 20.5 mt -56.05 -40.31 73.32 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.288 1.435 . . . . 0.0 111.886 176.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 176.892 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 CA--C 1.542 0.669 0 CA-C-O 120.904 0.383 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -145.55 117.74 5.17 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 125.131 1.372 . . . . 0.0 109.365 176.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -49.1 -32.24 23.53 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.716 2.944 . . . . 0.0 115.978 -178.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -73.62 -16.24 61.24 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.535 1.134 . . . . 0.0 113.035 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -60.03 -25.82 65.61 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 120.119 1.327 . . . . 0.0 113.641 -177.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -68.16 -32.55 72.89 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.557 1.143 . . . . 0.0 111.438 176.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.92 -29.11 55.54 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.42 1.088 . . . . 0.0 111.696 175.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 29.8 t -76.92 -49.97 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.261 1.025 . . . . 0.0 110.484 177.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 51.0 m -52.64 -41.49 63.81 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.091 1.756 . . . . 0.0 114.718 -176.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -66.65 -20.98 66.11 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . 0.431 HG21 HD11 ' B' ' 78' ' ' ILE . 10.4 mt -90.26 -55.05 6.66 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 C-N-CA 126.027 1.731 . . . . 0.0 110.043 175.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 16.1 p90 -150.7 100.06 3.12 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 127.93 2.492 . . . . 0.0 111.787 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -78.37 176.57 9.77 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 123.311 2.674 . . . . 0.0 112.154 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -67.02 -29.77 69.68 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.287 -0.883 . . . . 0.0 112.889 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 20.4 m -72.66 -46.53 53.42 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.821 1.785 . . . . 0.0 115.821 -176.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 35.0 m -143.77 162.05 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 124.657 1.183 . . . . 0.0 113.87 -175.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 48.6 tpp -80.5 64.5 5.32 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.922 1.289 . . . . 0.0 110.669 175.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 50.4 tp -56.45 -24.83 48.11 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.839 1.255 . . . . 0.0 113.068 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.04 -18.87 38.69 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.439 1.096 . . . . 0.0 113.55 175.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 2.6 p -72.5 -16.15 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.183 0.902 . . . . 0.0 112.617 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -125.16 -22.79 4.32 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.306 1.442 . . . . 0.0 114.101 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -72.19 155.72 39.93 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.304 1.042 . . . . 0.0 111.994 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -138.73 92.83 0.2 Allowed Glycine 0 CA--C 1.532 1.133 0 C-N-CA 125.813 1.673 . . . . 0.0 112.114 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . 0.431 HD11 HG21 ' B' ' 65' ' ' ILE . 74.0 mt -62.07 119.6 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.292 1.437 . . . . 0.0 110.239 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -80.19 64.84 5.14 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.184 1.394 . . . . 0.0 111.974 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 67.2 tp . . . . . 0 N--CA 1.475 0.802 0 C-N-CA 126.392 1.877 . . . . 0.0 114.279 -179.388 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.48 -42.31 92.37 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.755 1.222 . . . . 0.0 110.71 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 75.0 m -59.81 -47.93 83.73 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.922 0.889 . . . . 0.0 111.225 177.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 49.9 mt -55.51 -60.69 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 125.383 1.473 . . . . 0.0 110.531 177.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -61.42 -36.02 79.17 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.066 1.135 . . . . 0.0 114.066 -178.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -60.8 -55.66 30.43 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.333 1.053 . . . . 0.0 110.146 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 27.3 t -56.09 -38.5 70.79 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 122.984 0.514 . . . . 0.0 111.668 176.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 46.4 mt -60.57 -30.9 47.67 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 C-N-CA 123.911 0.884 . . . . 0.0 112.333 175.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -63.36 -45.9 89.03 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 120.717 1.599 . . . . 0.0 110.223 174.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 22.6 m -61.32 -39.36 90.21 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.808 1.243 . . . . 0.0 111.357 176.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.62 -52.65 63.5 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.214 1.406 . . . . 0.0 110.755 176.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 86.4 t -56.8 -49.55 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-O 118.705 -0.664 . . . . 0.0 109.968 176.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 30.3 t60 -52.53 -57.1 11.01 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.764 0.825 . . . . 0.0 110.535 176.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -55.5 -31.41 62.02 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 87.2 m -76.14 -14.48 60.17 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -120.04 -12.87 9.06 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 8.8 t -61.75 107.3 0.8 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.113 1.765 . . . . 0.0 112.261 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -3.2 20.98 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 -177.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 31.6 t30 -136.4 109.31 7.62 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.611 1.096 . . . . 0.0 112.084 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -57.85 -16.25 11.13 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -88.56 3.53 50.03 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.906 1.683 . . . . 0.0 113.543 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 49.7 t -46.71 124.68 6.33 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.018 2.127 . . . . 0.0 111.542 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 16.4 m -74.79 -2.65 27.58 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 116.395 1.998 . . . . 0.0 116.395 -174.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 12.5 tp -64.96 132.08 95.38 Favored Pre-proline 0 CA--C 1.546 0.789 0 CA-C-N 120.805 1.639 . . . . 0.0 109.294 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -63.51 -35.9 57.41 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 121.959 1.773 . . . . 0.0 113.159 -176.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 16.5 p -72.2 -44.04 63.58 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.803 1.241 . . . . 0.0 113.144 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 43.7 t -57.2 -44.31 83.54 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.481 1.512 . . . . 0.0 113.172 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -61.81 -52.32 64.68 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.587 1.555 . . . . 0.0 110.83 -177.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1798 ' ' LYS . . . . . 0.453 ' HE3' ' HA ' ' B' ' 68' ' ' ASP . 3.3 tppt? -62.4 -50.97 69.41 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.179 1.392 . . . . 0.0 110.655 175.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 63.0 tpp -52.72 -42.73 65.14 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.385 1.074 . . . . 0.0 111.666 177.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -51.95 -42.72 63.07 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.489 1.116 . . . . 0.0 112.983 176.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -60.32 -43.28 96.54 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 119.66 1.118 . . . . 0.0 111.496 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 1.7 t -68.22 -44.16 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.053 0.941 . . . . 0.0 110.962 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 55.4 t -59.09 -44.06 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.757 1.223 . . . . 0.0 110.294 176.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -66.59 -25.96 66.87 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.972 1.309 . . . . 0.0 112.669 176.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 7.3 t60 -69.91 -66.63 0.57 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.897 0.879 . . . . 0.0 109.779 176.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 6.0 t -55.7 -36.35 67.07 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -174.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -66.4 -14.03 61.54 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -134.87 3.39 4.16 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 125.067 1.318 . . . . 0.0 116.093 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 49.7 t -57.81 130.04 44.64 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.031 1.416 . . . . 0.0 112.804 -178.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 99.2 mttt -72.81 -8.17 54.2 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.71 1.604 . . . . 0.0 112.998 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -118.71 -56.28 2.13 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.515 1.926 . . . . 0.0 111.719 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 33.6 tttt 54.05 -174.17 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 127.439 2.295 . . . . 0.0 113.54 -177.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 40.0 p -58.56 -30.1 66.89 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 120.514 -1.366 . . . . 0.0 112.807 177.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -59.5 -40.09 85.93 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.923 1.289 . . . . 0.0 112.02 176.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -93.06 -6.44 63.24 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.096 1.331 . . . . 0.0 114.116 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 97.69 15.16 38.04 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.647 1.594 . . . . 0.0 116.219 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 20.6 t -56.97 119.49 30.96 Favored Pre-proline 0 CA--C 1.552 1.046 0 CA-C-N 119.432 1.616 . . . . 0.0 111.91 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -65.53 -38.82 23.76 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.008 2.472 . . . . 0.0 113.998 -177.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 59.2 t -55.94 -58.02 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-N 119.642 1.11 . . . . 0.0 110.231 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 37.4 m -53.05 -46.17 68.41 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.884 1.674 . . . . 0.0 110.742 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.65 -43.46 72.36 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.868 0.867 . . . . 0.0 112.067 177.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -60.41 -42.97 97.1 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.437 1.017 . . . . 0.0 111.566 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 8.1 mt -66.59 -53.33 35.53 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.037 0.535 . . . . 0.0 111.488 176.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 34.4 mm -57.73 -35.1 49.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 123.998 0.919 . . . . 0.0 112.084 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -58.36 -52.16 66.76 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 119.503 1.047 . . . . 0.0 111.341 175.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 4.6 mp -68.01 -36.26 79.67 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.725 0.81 . . . . 0.0 111.848 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 84.7 m -60.27 -42.31 95.13 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.173 0.897 . . . . 0.0 110.352 172.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 49.0 t -63.92 -49.39 72.8 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.682 1.193 . . . . 0.0 111.141 177.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 29.1 t80 -57.11 -44.81 83.61 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.954 -0.466 . . . . 0.0 111.355 176.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 45.6 t60 -57.97 -57.19 13.9 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.095 0.958 . . . . 0.0 110.336 175.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -54.47 -30.01 51.75 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.565 1.546 . . . . 0.0 114.574 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -55.35 -50.79 68.76 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.713 1.605 . . . . 0.0 110.889 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -90.15 -25.91 20.44 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.651 1.58 . . . . 0.0 114.73 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1834 ' ' CYS . . . . . 0.448 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 9.6 t -62.21 144.1 55.94 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.001 0.92 . . . . 0.0 113.156 -177.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -132.29 -1.36 3.59 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.531 1.933 . . . . 0.0 113.787 -176.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -77.01 115.24 16.63 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.7 -1.25 . . . . 0.0 111.273 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -59.7 -21.9 61.25 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -178.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -127.22 32.85 4.99 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.449 1.9 . . . . 0.0 113.545 -177.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 19.3 t -49.27 135.06 16.52 Favored Pre-proline 0 CA--C 1.56 1.336 0 C-N-CA 126.198 1.799 . . . . 0.0 112.589 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -65.08 -21.72 62.72 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 123.589 2.859 . . . . 0.0 115.564 -176.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 93.6 t -69.43 114.47 24.36 Favored Pre-proline 0 N--CA 1.476 0.862 0 C-N-CA 124.782 1.233 . . . . 0.0 109.396 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -52.46 -44.09 49.63 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 123.611 2.874 . . . . 0.0 115.267 -177.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -78.32 -24.91 46.4 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 -177.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 42.6 t -49.83 -67.56 0.25 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.31 1.444 . . . . 0.0 111.843 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 73.9 mt -51.36 -40.02 58.3 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.344 1.858 . . . . 0.0 113.249 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -63.04 -49.51 74.31 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.003 0.921 . . . . 0.0 110.504 176.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 7.5 mm -58.83 -44.71 91.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-O 118.553 -0.737 . . . . 0.0 110.73 174.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1848 ' ' LYS . . . . . 0.448 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 65.0 mttt -52.7 -44.84 66.58 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 120.018 1.281 . . . . 0.0 111.389 176.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 46.7 t60 -60.23 -51.08 71.07 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 122.846 0.458 . . . . 0.0 110.605 175.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -53.44 -45.43 69.47 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.143 0.977 . . . . 0.0 111.724 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 5.1 mp -57.61 -47.2 82.83 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.831 1.652 . . . . 0.0 111.841 176.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 . . . . . 0 N--CA 1.48 1.031 0 C-N-CA 124.225 1.01 . . . . 0.0 113.661 177.37 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 CA--C 1.541 0.598 0 CA-C-O 121.229 0.538 . . . . 0.0 111.708 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -157.65 117.61 1.95 Allowed Pre-proline 0 CA--C 1.543 0.693 0 C-N-CA 126.301 1.84 . . . . 0.0 109.183 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -48.33 -32.93 21.07 Favored 'Trans proline' 0 CA--C 1.537 0.645 0 C-N-CA 123.544 2.829 . . . . 0.0 115.847 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -70.66 -20.06 62.74 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.174 0.989 . . . . 0.0 113.175 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -61.15 -28.01 68.8 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.278 0.945 . . . . 0.0 112.409 -177.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -61.37 -37.66 84.18 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.36 1.464 . . . . 0.0 111.074 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.01 -32.41 24.94 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.926 1.29 . . . . 0.0 112.764 177.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 79.1 t -67.84 -46.04 83.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.219 1.008 . . . . 0.0 110.35 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 32.0 t -46.95 -51.04 17.93 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.9 2.08 . . . . 0.0 114.654 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -64.15 -22.3 66.88 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . 0.405 HG21 HD11 ' B' ' 78' ' ' ILE . 17.3 mt -90.08 -54.59 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.704 1.602 . . . . 0.0 109.978 178.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -153.61 99.32 2.62 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 128.395 2.678 . . . . 0.0 111.474 178.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -80.3 167.44 19.48 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 123.166 2.577 . . . . 0.0 111.765 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . 0.453 ' HA ' ' HE3' ' A' 1798 ' ' LYS . 36.5 t70 -60.77 -20.09 60.68 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 178.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 59.6 p -87.27 -19.26 28.54 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 p -156.39 150.69 9.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 120.512 1.506 . . . . 0.0 114.515 -177.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.65 33.01 0.08 Allowed 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 127.263 2.225 . . . . 0.0 112.94 173.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 51.7 tp -40.17 -24.63 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 127.471 2.309 . . . . 0.0 116.131 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.85 -28.7 16.78 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.653 1.181 . . . . 0.0 112.987 173.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.92 -14.76 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.593 1.157 . . . . 0.0 113.159 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -114.24 -30.33 6.65 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.13 1.772 . . . . 0.0 112.927 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -66.44 163.71 17.84 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.421 1.888 . . . . 0.0 113.824 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.74 82.25 0.16 Allowed Glycine 0 CA--C 1.533 1.175 0 C-N-CA 125.947 1.737 . . . . 0.0 111.889 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . 0.405 HD11 HG21 ' B' ' 65' ' ' ILE . 80.2 mt -55.6 127.74 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.883 1.673 . . . . 0.0 111.528 -179.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -75.06 65.63 1.51 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.843 1.657 . . . . 0.0 113.589 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 65.5 tp . . . . . 0 CA--C 1.548 0.869 0 O-C-N 121.127 -0.983 . . . . 0.0 112.082 175.542 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.55 -34.97 79.1 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.948 1.299 . . . . 0.0 112.638 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 79.3 p -63.63 -44.19 94.61 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.098 0.863 . . . . 0.0 111.368 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 73.5 mt -54.81 -63.72 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 125.862 1.665 . . . . 0.0 110.332 176.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -59.44 -36.12 75.32 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -66.41 -51.29 58.48 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 118.987 0.812 . . . . 0.0 110.778 175.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 28.5 t -57.12 -36.87 71.19 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.341 0.656 . . . . 0.0 111.373 176.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 42.3 mt -59.51 -30.11 43.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 121.032 -1.043 . . . . 0.0 112.426 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -62.84 -47.63 82.56 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 120.455 1.48 . . . . 0.0 109.947 174.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 22.0 m -58.81 -41.19 86.21 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.343 1.457 . . . . 0.0 111.243 174.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 5.3 tt -59.42 -52.58 65.01 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.223 1.809 . . . . 0.0 110.45 177.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 83.9 t -56.74 -49.61 77.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.948 0.899 . . . . 0.0 110.416 176.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 22.3 t60 -52.01 -56.87 11.62 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.918 0.781 . . . . 0.0 110.724 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -55.96 -30.15 61.28 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 89.5 m -78.51 -14.13 59.5 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 177.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -119.46 -11.37 9.5 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.603 1.335 . . . . 0.0 114.603 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 8.2 t -59.49 123.73 17.78 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.67 1.588 . . . . 0.0 112.601 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -76.85 -5.87 50.12 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.718 2.007 . . . . 0.0 115.794 -177.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 37.8 t30 -135.9 112.72 10.21 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.031 1.332 . . . . 0.0 112.457 -177.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -58.69 -16.31 15.82 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.69 1.366 . . . . 0.0 114.69 178.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -92.52 0.23 57.41 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.989 1.716 . . . . 0.0 114.432 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 49.1 t -44.93 110.72 0.25 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.906 2.082 . . . . 0.0 112.904 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 99.3 p -72.38 -0.96 13.79 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 -175.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 19.2 tp -61.36 124.43 80.7 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 125.257 1.423 . . . . 0.0 110.467 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -47.55 -42.24 29.25 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 123.498 2.798 . . . . 0.0 114.287 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 33.7 m -58.0 -53.06 62.45 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.574 1.55 . . . . 0.0 112.005 176.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 4.3 t -63.09 -51.52 66.26 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.16 1.784 . . . . 0.0 110.578 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -48.27 -56.33 8.29 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.193 1.797 . . . . 0.0 112.179 176.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 82.3 mttt -60.2 -44.03 95.45 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.213 1.005 . . . . 0.0 111.736 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 14.6 mmt -62.25 -43.47 98.75 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 176.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -47.48 -40.76 19.16 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.368 1.067 . . . . 0.0 112.485 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -61.76 -58.88 6.3 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.179 0.992 . . . . 0.0 111.923 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 19.4 m -63.31 -39.02 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 118.728 0.695 . . . . 0.0 112.598 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 46.2 t -59.22 -49.61 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.826 1.25 . . . . 0.0 110.458 175.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -62.01 -31.68 72.08 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.927 0.891 . . . . 0.0 112.208 176.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.7 t60 -68.96 -63.63 1.02 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.611 0.764 . . . . 0.0 110.82 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 13.0 t -54.79 -31.02 58.4 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 114.673 1.361 . . . . 0.0 114.673 -176.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -77.61 -11.59 59.88 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -134.27 -1.94 3.45 Favored Glycine 0 CA--C 1.538 1.522 0 N-CA-C 117.095 1.598 . . . . 0.0 117.095 -176.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 43.4 t -55.34 136.97 48.76 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.396 1.598 . . . . 0.0 112.331 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -72.24 -11.67 60.82 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.654 1.581 . . . . 0.0 114.136 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -135.21 -32.23 0.95 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 27.6 mtpp 53.61 -168.14 0.06 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.115 1.766 . . . . 0.0 113.611 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 20.2 p -57.96 -32.27 67.69 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.728 1.211 . . . . 0.0 112.145 175.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -58.26 -42.51 86.62 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.1 1.36 . . . . 0.0 111.809 176.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -88.24 -3.44 78.88 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 125.46 1.505 . . . . 0.0 113.955 176.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 93.01 17.91 41.97 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.729 1.633 . . . . 0.0 116.71 176.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 8.1 t -58.84 116.68 16.39 Favored Pre-proline 0 CA--C 1.552 1.026 0 CA-C-N 119.758 1.779 . . . . 0.0 112.744 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -57.45 -42.81 57.51 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 123.207 2.605 . . . . 0.0 113.795 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 59.5 t -55.16 -59.02 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.842 1.257 . . . . 0.0 110.694 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 21.3 m -52.71 -48.72 66.44 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.555 1.542 . . . . 0.0 110.138 177.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1821 ' ' LYS . . . . . 0.409 ' O ' ' HE2' ' A' 1821 ' ' LYS . 0.0 OUTLIER -53.96 -46.36 71.59 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.345 1.058 . . . . 0.0 111.699 177.317 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -60.97 -42.16 97.8 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.322 0.964 . . . . 0.0 111.97 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.62 -50.01 66.61 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.561 0.619 . . . . 0.0 111.072 177.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 41.1 mm -61.18 -32.39 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 124.564 1.146 . . . . 0.0 112.0 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -57.25 -48.17 79.54 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 120.015 1.279 . . . . 0.0 111.239 175.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 6.7 mp -68.66 -39.61 80.57 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.186 0.994 . . . . 0.0 111.207 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 73.4 m -59.69 -38.05 80.5 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 118.877 0.762 . . . . 0.0 110.642 173.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 24.3 t -66.52 -50.67 62.42 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.952 1.301 . . . . 0.0 111.216 176.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 44.5 t80 -55.81 -46.36 78.07 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.258 0.623 . . . . 0.0 110.621 175.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 43.6 t60 -56.74 -63.83 1.07 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.426 1.09 . . . . 0.0 110.05 175.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -50.14 -42.15 50.2 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.762 1.625 . . . . 0.0 114.564 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -56.52 -45.68 80.97 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.509 1.924 . . . . 0.0 111.589 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -90.1 -17.79 27.06 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1834 ' ' CYS . . . . . 0.455 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 11.4 t -68.83 165.1 20.47 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.061 1.745 . . . . 0.0 112.863 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.05 -4.25 0.42 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.005 1.722 . . . . 0.0 115.109 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -74.64 120.0 19.59 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 120.825 -1.172 . . . . 0.0 111.554 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -62.16 -23.51 66.64 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -127.12 33.99 4.81 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 126.686 1.995 . . . . 0.0 113.305 -177.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 10.4 t -49.71 134.35 19.93 Favored Pre-proline 0 CA--C 1.559 1.315 0 C-N-CA 126.135 1.774 . . . . 0.0 112.541 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -65.86 -22.34 56.44 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 123.625 2.883 . . . . 0.0 115.62 -176.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 82.0 t -66.85 115.53 25.9 Favored Pre-proline 0 N--CA 1.477 0.875 0 C-N-CA 124.534 1.133 . . . . 0.0 109.566 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -51.42 -46.42 31.62 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.747 2.965 . . . . 0.0 115.289 -177.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -76.12 -28.51 57.49 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 114.633 1.345 . . . . 0.0 114.633 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 42.4 t -45.84 -67.77 0.25 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.87 1.668 . . . . 0.0 112.3 -177.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 59.6 mt -54.39 -35.59 63.01 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.337 1.455 . . . . 0.0 113.489 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -64.56 -51.12 64.42 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.683 0.674 . . . . 0.0 110.004 175.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 10.0 mm -56.87 -45.82 83.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.754 176.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1848 ' ' LYS . . . . . 0.455 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 67.9 mttt -53.14 -45.46 68.41 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 120.164 1.347 . . . . 0.0 111.657 176.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 56.5 t60 -61.96 -49.87 74.39 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.281 0.633 . . . . 0.0 110.8 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -54.96 -41.23 70.87 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.084 1.354 . . . . 0.0 111.661 176.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.7 mp -63.94 -43.1 96.89 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.659 1.584 . . . . 0.0 111.606 175.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.938 0 C-N-CA 124.528 1.131 . . . . 0.0 113.184 176.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 CA--C 1.544 0.733 0 CA-C-O 120.832 0.349 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -145.9 121.19 5.61 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 125.586 1.555 . . . . 0.0 109.392 177.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -50.6 -30.62 28.93 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 123.539 2.826 . . . . 0.0 115.966 -178.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -77.26 -16.45 59.0 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.549 1.14 . . . . 0.0 113.626 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -59.31 -32.74 70.34 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -175.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -62.0 -33.07 73.65 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.565 1.146 . . . . 0.0 111.659 178.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.69 -22.82 53.41 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.269 1.028 . . . . 0.0 112.421 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 12.2 t -80.64 -48.65 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 123.891 0.876 . . . . 0.0 109.754 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 65.6 m -49.74 -45.37 49.28 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.18 1.792 . . . . 0.0 114.619 -178.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -64.87 -23.64 67.29 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . 0.442 HG21 HD11 ' B' ' 78' ' ' ILE . 10.2 mt -90.14 -55.65 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 126.266 1.826 . . . . 0.0 110.617 176.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -151.09 101.15 3.01 Favored Pre-proline 0 CA--C 1.549 0.916 0 C-N-CA 127.983 2.513 . . . . 0.0 111.392 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -74.52 174.03 13.3 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 122.811 2.34 . . . . 0.0 111.665 177.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -73.32 -18.75 61.16 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 120.923 -1.111 . . . . 0.0 113.154 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 26.9 p -74.57 -51.56 14.27 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.412 1.885 . . . . 0.0 113.876 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 29.0 m -138.71 154.71 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.668 1.587 . . . . 0.0 112.399 -178.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 67.8 mtp -83.08 66.59 8.75 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.492 -0.755 . . . . 0.0 111.257 176.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 32.5 tp -52.16 -22.08 3.92 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.493 1.917 . . . . 0.0 113.363 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.82 -23.27 17.48 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.049 1.34 . . . . 0.0 113.133 174.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 4.6 p -67.92 -17.46 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.481 1.112 . . . . 0.0 112.911 176.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -126.69 -16.96 5.12 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.326 1.45 . . . . 0.0 114.426 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -71.48 160.03 33.45 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.971 1.308 . . . . 0.0 112.413 177.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -144.97 87.14 0.17 Allowed Glycine 0 CA--C 1.534 1.242 0 C-N-CA 125.692 1.615 . . . . 0.0 112.14 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . 0.442 HD11 HG21 ' B' ' 65' ' ' ILE . 85.4 mt -60.81 125.68 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.895 1.678 . . . . 0.0 111.293 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -81.35 65.8 6.63 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.123 1.369 . . . . 0.0 111.913 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 64.6 tp . . . . . 0 CA--C 1.547 0.845 0 C-N-CA 126.283 1.833 . . . . 0.0 114.043 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 120.446 0.165 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.75 -42.72 94.94 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.364 1.466 . . . . 0.0 110.631 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 73.8 m -59.17 -52.75 64.37 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.659 0.663 . . . . 0.0 110.433 176.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 40.8 mt -52.31 -58.43 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 125.232 1.413 . . . . 0.0 111.289 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -62.23 -40.41 96.04 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -178.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 84.5 mmt-85 -58.75 -45.52 89.55 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 119.831 1.196 . . . . 0.0 111.215 176.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 62.1 m -62.9 -33.15 74.7 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.685 -0.635 . . . . 0.0 111.383 175.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 54.6 mt -69.89 -35.4 64.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.325 1.05 . . . . 0.0 111.82 175.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -59.42 -44.94 92.78 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.461 1.482 . . . . 0.0 109.553 172.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 31.3 t -60.33 -44.85 95.11 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.048 0.939 . . . . 0.0 111.428 174.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 58.1 tp -55.27 -53.43 56.24 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.187 1.395 . . . . 0.0 111.105 177.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 86.4 t -56.08 -51.14 65.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.694 178.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 32.1 t60 -52.43 -57.75 8.88 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.85 0.75 . . . . 0.0 110.929 177.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -56.3 -31.08 63.34 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 87.1 m -77.33 -13.39 59.94 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 177.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -119.34 -14.5 9.2 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 9.2 t -61.76 114.68 3.45 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.856 1.662 . . . . 0.0 112.056 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -70.79 -6.27 36.47 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.75 2.02 . . . . 0.0 116.094 -177.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 32.4 t30 -136.12 111.96 9.5 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.476 1.111 . . . . 0.0 112.402 -177.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.35 -15.56 17.16 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 177.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -92.15 6.97 44.58 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.307 1.843 . . . . 0.0 113.681 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 52.9 t -45.2 129.52 7.88 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.868 2.067 . . . . 0.0 112.147 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 15.7 m -68.41 -8.65 42.35 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 116.213 1.931 . . . . 0.0 116.213 -174.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 13.3 tp -74.53 128.04 86.4 Favored Pre-proline 0 CA--C 1.549 0.92 0 CA-C-N 120.132 1.333 . . . . 0.0 112.035 -177.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -54.24 -43.83 54.98 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.702 2.268 . . . . 0.0 113.023 177.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 16.1 m -61.63 -48.54 80.42 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.065 1.346 . . . . 0.0 112.021 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 34.7 t -56.73 -54.23 48.67 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.154 1.382 . . . . 0.0 109.765 177.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -50.83 -55.09 18.56 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.243 1.417 . . . . 0.0 111.988 176.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -56.38 -49.7 73.69 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.698 1.199 . . . . 0.0 112.15 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 49.3 tpp -61.28 -43.94 98.05 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.669 1.188 . . . . 0.0 112.64 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -50.77 -44.53 58.73 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.442 1.497 . . . . 0.0 113.032 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.58 -47.42 79.58 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.673 0.789 . . . . 0.0 111.732 177.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 1.8 t -69.0 -41.26 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 123.704 0.802 . . . . 0.0 111.676 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 40.8 t -57.01 -47.52 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.795 0.838 . . . . 0.0 109.429 174.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -67.4 -27.87 67.44 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.454 0.702 . . . . 0.0 112.811 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.8 t60 -65.51 -64.69 0.8 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.035 0.834 . . . . 0.0 109.028 173.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 12.2 t -56.75 -31.78 64.92 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -178.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -60.46 -27.2 67.35 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.036 1.734 . . . . 0.0 113.883 176.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -130.53 -1.95 5.03 Favored Glycine 0 CA--C 1.538 1.525 0 N-CA-C 117.453 1.741 . . . . 0.0 117.453 -177.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 49.9 t -55.45 128.14 32.93 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.633 1.716 . . . . 0.0 113.263 -178.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 23.2 tptm -71.87 -16.55 62.14 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.151 1.78 . . . . 0.0 112.708 178.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 58.2 ttm-85 -108.69 -57.26 2.16 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.994 1.718 . . . . 0.0 112.92 -178.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1812 ' ' LYS . . . . . . . . . . . . 0.28 19.0 ptmt 49.07 -170.47 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 128.199 2.6 . . . . 0.0 114.777 -175.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 10.4 p -53.62 -39.63 65.08 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.956 1.302 . . . . 0.0 112.622 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 30.0 t30 -54.82 -34.34 62.67 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.592 1.557 . . . . 0.0 112.99 176.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -104.19 6.65 46.88 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 126.139 1.828 . . . . 0.0 114.296 178.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 84.54 16.03 67.13 Favored Glycine 0 CA--C 1.538 1.47 0 N-CA-C 116.866 1.506 . . . . 0.0 116.866 178.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 18.3 t -59.32 114.93 10.45 Favored Pre-proline 0 CA--C 1.555 1.154 0 CA-C-N 119.726 1.763 . . . . 0.0 112.128 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -58.81 -43.7 41.87 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.106 2.538 . . . . 0.0 113.867 -179.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 52.9 t -54.85 -57.24 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 124.515 1.126 . . . . 0.0 111.404 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 41.7 m -54.87 -48.79 72.51 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.322 1.449 . . . . 0.0 111.142 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.09 -50.21 71.66 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.091 1.356 . . . . 0.0 110.897 176.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -56.8 -44.85 82.33 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.28 1.032 . . . . 0.0 111.575 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.5 -53.07 61.23 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.156 0.889 . . . . 0.0 110.367 176.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 39.6 mt -58.09 -29.34 36.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 126.106 1.763 . . . . 0.0 113.105 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -55.35 -46.75 76.42 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 120.041 1.291 . . . . 0.0 111.791 176.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.53 -38.41 80.84 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.779 1.232 . . . . 0.0 110.804 176.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 68.0 m -59.71 -41.85 91.73 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.865 0.757 . . . . 0.0 111.016 174.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 94.6 m -63.12 -49.82 72.91 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.313 1.045 . . . . 0.0 111.363 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 40.1 t80 -58.96 -45.5 90.34 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.949 0.499 . . . . 0.0 111.12 176.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 39.5 t60 -56.34 -60.54 3.37 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.319 1.048 . . . . 0.0 110.535 176.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -52.21 -38.69 58.7 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.459 1.504 . . . . 0.0 114.677 -178.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -56.98 -44.32 82.55 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.43 1.492 . . . . 0.0 111.36 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -90.09 -20.32 23.3 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1834 ' ' CYS . . . . . 0.492 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 11.4 t -67.55 165.02 17.73 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.516 1.526 . . . . 0.0 113.319 -179.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -149.79 -5.2 0.36 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.119 1.768 . . . . 0.0 115.308 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -75.69 111.17 10.75 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 120.739 -1.225 . . . . 0.0 111.42 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -59.09 -11.35 3.51 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -134.04 28.64 3.8 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 127.168 2.187 . . . . 0.0 112.963 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 12.8 t -47.94 135.51 11.22 Favored Pre-proline 0 CA--C 1.559 1.313 0 C-N-CA 126.612 1.965 . . . . 0.0 113.109 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -65.59 -23.44 57.04 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 123.729 2.953 . . . . 0.0 115.651 -176.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 74.5 t -64.99 116.18 27.58 Favored Pre-proline 0 N--CA 1.476 0.87 0 C-N-CA 124.65 1.18 . . . . 0.0 109.954 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -48.48 -50.33 12.53 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 124.34 3.36 . . . . 0.0 116.164 -176.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -77.91 -24.65 48.27 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 47.1 t -43.33 -68.33 0.2 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.117 1.767 . . . . 0.0 113.168 -176.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 55.3 mt -54.39 -35.62 63.05 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.376 1.47 . . . . 0.0 113.816 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 49.2 t30 -64.25 -49.25 72.63 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.999 0.919 . . . . 0.0 110.126 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 15.0 mm -58.93 -48.66 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 O-C-N 121.751 -0.593 . . . . 0.0 110.582 175.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1848 ' ' LYS . . . . . 0.492 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 70.0 mttt -51.2 -47.79 62.17 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.201 0.909 . . . . 0.0 111.037 177.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 61.2 t60 -56.07 -51.87 66.3 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.507 0.723 . . . . 0.0 110.436 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -55.47 -43.74 75.78 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 118.811 0.732 . . . . 0.0 111.762 176.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 6.2 mp -60.67 -37.15 80.61 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.262 1.425 . . . . 0.0 112.229 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 42.8 mmt-85 . . . . . 0 N--CA 1.48 1.04 0 CA-C-N 119.486 1.039 . . . . 0.0 113.043 175.798 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 CA--C 1.541 0.61 0 CA-C-O 121.182 0.515 . . . . 0.0 112.058 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -156.38 136.56 8.69 Favored Pre-proline 0 CA--C 1.544 0.732 0 C-N-CA 126.209 1.803 . . . . 0.0 110.475 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -64.43 -20.32 66.07 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 122.414 2.076 . . . . 0.0 114.912 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -79.59 -23.12 42.94 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.146 0.884 . . . . 0.0 113.129 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -60.74 -29.36 69.33 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -177.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.69 -45.72 92.8 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.335 1.054 . . . . 0.0 111.306 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.48 -45.75 68.25 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.598 0.759 . . . . 0.0 111.103 176.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 63.3 t -59.26 -40.94 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.67 0.788 . . . . 0.0 111.954 177.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 20.2 t -49.47 -48.78 47.49 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.157 1.783 . . . . 0.0 114.537 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -64.92 -19.6 66.02 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 12.1 mt -90.03 -57.76 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.482 1.513 . . . . 0.0 109.801 175.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.8 p90 -150.24 101.11 3.17 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 127.673 2.389 . . . . 0.0 111.842 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -77.37 173.78 13.76 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 122.656 2.237 . . . . 0.0 110.75 176.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -67.76 -24.82 65.39 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.497 -1.377 . . . . 0.0 113.413 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 23.0 m -69.92 -45.54 67.31 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 -177.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 27.1 m -146.39 159.93 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 125.063 1.345 . . . . 0.0 113.316 -176.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 57.7 tpp -80.18 63.29 4.63 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.627 1.171 . . . . 0.0 110.335 174.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 41.3 tp -53.04 -25.85 13.81 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.753 1.621 . . . . 0.0 113.649 -177.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.76 -22.54 24.69 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.274 1.429 . . . . 0.0 113.802 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.6 p -70.15 -19.4 22.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.621 1.168 . . . . 0.0 112.742 177.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -131.11 -4.27 3.92 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -176.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -129.24 141.26 51.18 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.292 1.437 . . . . 0.0 111.896 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -97.12 -179.63 34.16 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.624 1.583 . . . . 0.0 114.08 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 75.6 mt -117.43 149.13 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.41 1.484 . . . . 0.0 111.22 -178.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -61.45 0.65 0.28 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 128.823 2.849 . . . . 0.0 116.803 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 35.1 tp . . . . . 0 CA--C 1.549 0.93 0 C-N-CA 126.491 1.916 . . . . 0.0 114.365 179.495 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1770 ' ' ARG . . . . . 0.402 ' NH1' HE22 ' A' 1774 ' ' GLN . 74.9 ttt-85 . . . . . 0 N--CA 1.477 0.895 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.9 mp -67.17 -46.49 73.81 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.79 1.236 . . . . 0.0 111.113 177.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 68.5 m -58.2 -46.55 85.62 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.827 0.74 . . . . 0.0 111.246 178.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 55.3 mt -55.67 -63.43 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 126.122 1.769 . . . . 0.0 110.545 177.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . 0.402 HE22 ' NH1' ' A' 1770 ' ' ARG . 4.8 pt20 -61.3 -36.26 79.62 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -177.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -62.81 -53.4 54.82 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.061 0.944 . . . . 0.0 110.517 176.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 18.3 t -58.81 -33.81 70.8 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.227 0.611 . . . . 0.0 112.162 177.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 41.4 mt -64.45 -28.62 45.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 O-C-N 121.168 -0.957 . . . . 0.0 112.086 176.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -63.05 -46.37 87.8 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 120.353 1.433 . . . . 0.0 109.638 174.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 4.3 m -59.51 -40.8 88.26 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.944 1.698 . . . . 0.0 111.327 175.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 63.8 tp -59.28 -54.97 40.72 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.314 1.446 . . . . 0.0 110.529 176.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 94.8 t -55.03 -50.17 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 CA-C-O 118.566 -0.73 . . . . 0.0 110.429 177.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 33.9 t60 -53.32 -58.67 6.28 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.479 0.712 . . . . 0.0 111.285 177.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -56.33 -28.7 59.81 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 96.5 m -78.73 -13.0 60.05 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 177.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -119.99 -12.77 9.09 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.087 1.355 . . . . 0.0 114.29 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 11.6 t -65.04 122.36 16.85 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.628 1.571 . . . . 0.0 111.619 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -74.9 -8.97 58.04 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.329 1.852 . . . . 0.0 115.387 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 31.8 t30 -136.76 113.47 10.26 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.877 1.217 . . . . 0.0 113.131 -176.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.49 -15.41 17.54 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -93.0 8.6 39.21 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 126.44 1.896 . . . . 0.0 113.61 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 51.6 t -45.08 135.75 5.3 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 127.462 2.305 . . . . 0.0 112.686 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 84.7 p -74.24 -10.92 60.08 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -176.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 26.3 tp -72.38 120.77 82.33 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 124.575 1.15 . . . . 0.0 112.012 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.67 -39.7 75.48 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.898 2.399 . . . . 0.0 113.348 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 15.0 m -58.09 -47.6 82.7 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.272 1.429 . . . . 0.0 112.061 178.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 20.9 t -61.37 -54.17 47.17 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.161 1.784 . . . . 0.0 109.5 176.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -50.32 -55.09 17.04 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.498 1.519 . . . . 0.0 112.547 177.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 89.4 mttt -57.94 -49.46 76.69 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.915 0.886 . . . . 0.0 111.862 177.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 44.8 tpp -59.67 -38.37 81.29 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.97 0.908 . . . . 0.0 113.0 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -53.45 -31.11 43.98 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 118.035 -0.983 . . . . 0.0 113.441 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -59.21 -61.81 2.36 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.903 1.229 . . . . 0.0 111.676 177.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 26.7 m -63.83 -33.81 64.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 46.4 t -62.2 -48.65 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.957 0.903 . . . . 0.0 109.932 175.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 66.8 mm-40 -62.78 -30.05 71.17 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.686 1.194 . . . . 0.0 112.252 175.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 11.6 t60 -69.3 -66.05 0.63 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.57 0.748 . . . . 0.0 110.411 175.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 5.1 t -55.36 -33.74 63.68 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -174.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -70.54 -14.26 62.43 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 177.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -128.96 -8.65 3.68 Favored Glycine 0 CA--C 1.538 1.505 0 N-CA-C 116.499 1.36 . . . . 0.0 116.499 -178.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 40.6 t -57.57 138.71 54.95 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.516 1.526 . . . . 0.0 112.754 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -90.57 -6.73 54.32 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.025 1.73 . . . . 0.0 112.915 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -107.5 -53.9 2.56 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.64 1.576 . . . . 0.0 112.566 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 14.7 mmmm 58.14 179.92 0.06 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.719 2.008 . . . . 0.0 113.385 -178.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 19.6 p -59.63 -29.97 68.39 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 120.627 -1.295 . . . . 0.0 112.159 175.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -58.59 -39.24 79.83 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.063 1.345 . . . . 0.0 111.891 175.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -90.94 -5.24 68.38 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 125.267 1.413 . . . . 0.0 113.733 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 93.3 16.09 48.28 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 125.721 1.629 . . . . 0.0 115.756 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 14.0 t -55.5 113.84 6.28 Favored Pre-proline 0 CA--C 1.553 1.085 0 CA-C-N 119.246 1.523 . . . . 0.0 112.518 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -56.24 -44.54 45.56 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 123.235 2.623 . . . . 0.0 113.891 -178.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 58.8 t -55.56 -58.69 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.368 1.067 . . . . 0.0 111.133 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 39.4 m -53.66 -46.1 70.49 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.013 1.325 . . . . 0.0 110.557 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1821 ' ' LYS . . . . . 0.412 ' HE2' ' O ' ' A' 1821 ' ' LYS . 0.0 OUTLIER -54.61 -45.36 73.66 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.458 1.103 . . . . 0.0 111.675 177.131 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -60.4 -38.72 84.86 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.122 0.874 . . . . 0.0 111.967 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 4.4 mt -66.42 -51.45 56.84 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.862 -0.524 . . . . 0.0 110.721 174.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 23.1 mm -56.32 -37.03 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 123.71 0.804 . . . . 0.0 111.919 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -55.32 -51.63 66.12 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.414 1.006 . . . . 0.0 111.591 176.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 4.1 mp -69.51 -39.17 77.74 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.496 1.118 . . . . 0.0 111.854 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 73.4 m -59.51 -39.79 85.01 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.99 0.814 . . . . 0.0 110.603 174.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 35.1 t -65.74 -50.12 65.94 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.737 1.215 . . . . 0.0 111.123 176.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 37.1 t80 -57.38 -40.61 78.56 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.5 0.591 . . . . 0.0 111.398 176.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 54.2 t60 -61.63 -58.55 7.64 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.973 0.909 . . . . 0.0 110.097 174.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -54.42 -28.58 44.91 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.655 1.582 . . . . 0.0 114.618 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -56.97 -47.46 80.72 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.809 1.644 . . . . 0.0 110.932 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 51.5 m80 -90.11 -29.47 18.3 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.93 2.092 . . . . 0.0 114.34 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1834 ' ' CYS . . . . . 0.481 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 8.1 t -66.54 153.74 42.19 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.189 1.396 . . . . 0.0 113.632 -177.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.82 -2.97 0.8 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.565 1.946 . . . . 0.0 114.775 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -71.57 107.08 4.27 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.316 1.446 . . . . 0.0 111.302 178.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -53.68 -16.2 1.54 Allowed 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 116.811 2.152 . . . . 0.0 116.811 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 47.9 mttp -132.21 32.92 3.92 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.677 1.991 . . . . 0.0 112.857 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 32.5 t -49.56 136.34 17.96 Favored Pre-proline 0 CA--C 1.559 1.307 0 C-N-CA 126.463 1.905 . . . . 0.0 112.211 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -64.7 -24.99 61.64 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 123.366 2.711 . . . . 0.0 115.156 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 97.1 t -65.79 122.82 82.68 Favored Pre-proline 0 N--CA 1.474 0.771 0 CA-C-N 119.332 0.969 . . . . 0.0 109.099 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -64.55 -44.84 10.2 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.829 2.353 . . . . 0.0 114.397 -175.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -72.57 -31.06 64.94 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 47.5 t -43.35 -67.02 0.31 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.529 1.931 . . . . 0.0 112.215 -178.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 63.9 mt -52.99 -36.79 60.77 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.506 1.523 . . . . 0.0 113.896 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -65.44 -48.74 71.68 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.909 0.777 . . . . 0.0 110.17 175.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 11.5 mm -58.61 -46.23 90.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-O 119.163 -0.446 . . . . 0.0 110.284 176.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1848 ' ' LYS . . . . . 0.481 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 68.9 mttt -52.3 -45.56 65.59 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.442 1.019 . . . . 0.0 111.688 176.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 24.2 t60 -58.18 -49.03 78.46 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.881 0.764 . . . . 0.0 110.848 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 7.6 mptt -60.06 -27.9 67.34 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.222 1.809 . . . . 0.0 112.802 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.9 mp -85.45 -49.33 8.18 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.384 1.874 . . . . 0.0 113.434 177.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? . . . . . 0 N--CA 1.476 0.858 0 C-N-CA 123.952 0.901 . . . . 0.0 113.228 -179.093 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 CA--C 1.54 0.577 0 CA-C-O 121.316 0.579 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -158.5 138.96 9.1 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 124.641 1.176 . . . . 0.0 110.845 -178.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -73.3 -17.7 23.97 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.561 2.174 . . . . 0.0 114.779 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -79.96 -33.95 39.14 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -178.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -27.31 61.54 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -177.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -64.4 -43.09 95.52 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.036 1.334 . . . . 0.0 110.971 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.62 -42.48 86.73 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.772 0.829 . . . . 0.0 110.75 175.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 13.7 t -58.09 -44.3 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.313 0.645 . . . . 0.0 110.381 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.2 t -46.89 -49.52 20.19 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.616 1.966 . . . . 0.0 114.6 -178.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -72.75 -15.36 61.66 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 17.8 mt -90.28 -54.73 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.356 1.462 . . . . 0.0 109.486 175.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -154.51 101.11 2.4 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 128.756 2.822 . . . . 0.0 111.947 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -74.45 174.17 13.02 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 122.628 2.219 . . . . 0.0 112.653 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.17 -16.59 62.24 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 -175.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 48.9 m -123.12 0.84 9.12 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 115.632 1.715 . . . . 0.0 115.632 -177.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 9.3 t -140.81 130.33 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 119.734 1.152 . . . . 0.0 111.929 -178.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 52.0 tpp -78.93 51.51 1.14 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.74 1.216 . . . . 0.0 110.292 174.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 51.1 tp -52.1 -25.7 9.38 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 127.365 2.266 . . . . 0.0 113.823 -177.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.46 -18.02 16.28 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.951 1.301 . . . . 0.0 113.527 174.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.7 p -71.3 -17.78 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.491 1.116 . . . . 0.0 112.522 176.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -127.08 -29.78 2.75 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.65 1.58 . . . . 0.0 113.88 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -75.07 147.73 40.37 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.377 1.471 . . . . 0.0 111.21 177.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.65 105.94 0.62 Allowed Glycine 0 CA--C 1.53 1.03 0 C-N-CA 125.171 1.367 . . . . 0.0 112.469 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.63 123.8 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.194 1.398 . . . . 0.0 109.738 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -69.37 31.15 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 127.038 2.135 . . . . 0.0 116.136 -176.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 49.5 tp . . . . . 0 CA--C 1.555 1.14 0 C-N-CA 125.811 1.644 . . . . 0.0 114.805 179.458 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 3.2 mp -65.52 -31.28 72.26 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.199 1.0 . . . . 0.0 111.971 176.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 74.8 m -65.02 -43.99 90.63 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.089 -1.007 . . . . 0.0 111.088 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 84.7 mt -55.34 -60.37 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.321 1.449 . . . . 0.0 111.092 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -60.06 -32.43 70.93 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 13.7 mmp_? -64.76 -51.4 62.46 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.148 0.885 . . . . 0.0 110.229 175.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 68.0 m -59.92 -29.24 68.24 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.174 0.589 . . . . 0.0 112.47 176.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 51.2 mt -67.69 -27.64 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 O-C-N 120.998 -1.064 . . . . 0.0 111.57 176.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -63.97 -43.09 96.8 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.882 1.219 . . . . 0.0 109.224 173.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 3.2 m -59.86 -44.3 94.2 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.708 1.603 . . . . 0.0 111.052 175.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 67.2 tp -58.21 -55.9 28.95 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.23 1.412 . . . . 0.0 110.842 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 86.8 t -54.84 -51.93 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-O 118.485 -0.769 . . . . 0.0 110.515 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 31.5 t60 -52.61 -59.03 4.96 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.6 0.76 . . . . 0.0 110.955 177.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -56.45 -28.58 59.96 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 87.2 m -78.59 -14.93 59.09 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -117.39 -15.73 10.31 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.015 1.326 . . . . 0.0 114.26 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 11.7 t -59.54 119.86 8.32 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.502 1.921 . . . . 0.0 111.655 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -77.58 -5.67 51.04 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.97 1.708 . . . . 0.0 115.412 -176.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 33.0 t30 -136.68 110.3 8.04 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.791 1.236 . . . . 0.0 112.357 -177.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -56.65 -17.57 9.21 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -87.51 -1.13 57.73 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.694 1.598 . . . . 0.0 114.026 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 48.6 t -46.02 111.57 0.38 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.997 2.119 . . . . 0.0 111.858 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 89.1 p -70.21 1.0 5.27 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 116.743 2.127 . . . . 0.0 116.743 -174.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 17.4 tp -62.35 123.11 77.25 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 125.029 1.331 . . . . 0.0 109.995 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -47.71 -41.23 31.22 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.739 2.959 . . . . 0.0 115.374 -177.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 12.0 p -68.21 -48.76 64.32 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.001 1.321 . . . . 0.0 112.401 177.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 11.6 t -58.02 -52.06 67.1 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.662 1.585 . . . . 0.0 110.027 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -46.7 -58.38 3.92 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.959 1.703 . . . . 0.0 111.735 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 91.4 mttt -59.78 -50.21 74.69 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.658 1.183 . . . . 0.0 112.107 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 51.0 tpp -60.69 -39.98 90.49 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.276 1.03 . . . . 0.0 113.359 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -52.44 -42.05 63.81 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.489 1.116 . . . . 0.0 113.131 178.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -58.56 -42.21 87.39 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.615 0.766 . . . . 0.0 111.508 177.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 1.4 t -69.84 -42.44 79.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.235 1.014 . . . . 0.0 111.514 178.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 71.5 t -59.24 -44.15 91.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.104 0.962 . . . . 0.0 109.973 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -65.65 -28.6 69.22 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.493 1.117 . . . . 0.0 112.685 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.5 t60 -71.73 -64.1 1.0 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.088 0.955 . . . . 0.0 110.22 176.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 11.1 t -52.92 -36.22 59.35 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 -176.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -70.26 -13.56 62.22 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -133.39 -1.97 3.78 Favored Glycine 0 CA--C 1.536 1.385 0 N-CA-C 116.496 1.358 . . . . 0.0 116.496 -177.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 45.2 t -56.31 127.0 28.76 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.155 1.477 . . . . 0.0 112.779 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -74.25 -6.37 47.48 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.759 1.624 . . . . 0.0 113.191 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -119.32 -55.17 2.16 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.602 1.961 . . . . 0.0 111.933 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1812 ' ' LYS . . . . . 0.427 ' HG2' ' H ' ' A' 1813 ' ' THR . 21.5 tttm 54.91 -175.31 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 127.653 2.381 . . . . 0.0 113.553 -177.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . 0.427 ' H ' ' HG2' ' A' 1812 ' ' LYS . 69.4 p -57.59 -34.73 69.56 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 120.565 -1.334 . . . . 0.0 112.601 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -59.09 -40.58 85.7 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.34 1.456 . . . . 0.0 112.304 177.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -88.28 -6.72 74.1 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 124.857 1.218 . . . . 0.0 114.057 177.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 98.04 14.63 38.76 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.535 1.54 . . . . 0.0 116.156 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 23.1 t -56.24 119.86 30.74 Favored Pre-proline 0 CA--C 1.553 1.064 0 CA-C-N 119.495 1.647 . . . . 0.0 111.268 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -67.0 -37.63 18.61 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.562 2.174 . . . . 0.0 113.282 -176.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 72.4 t -58.01 -58.74 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.066 1.347 . . . . 0.0 110.432 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 57.5 m -53.68 -47.26 70.62 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.748 1.219 . . . . 0.0 110.577 177.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.38 -42.43 77.88 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.457 -0.777 . . . . 0.0 112.791 177.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -65.79 -38.17 88.28 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.154 0.888 . . . . 0.0 111.5 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.66 -52.31 61.27 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.63 -0.668 . . . . 0.0 110.069 176.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 31.1 mm -61.39 -32.83 54.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 124.21 1.004 . . . . 0.0 112.3 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -54.67 -43.42 72.42 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 120.358 1.436 . . . . 0.0 111.925 175.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 5.8 mp -72.0 -35.88 69.59 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.264 1.026 . . . . 0.0 111.324 175.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 84.8 m -60.66 -39.87 89.95 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.954 0.797 . . . . 0.0 110.299 173.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 99.7 m -64.12 -51.63 63.02 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.532 1.133 . . . . 0.0 111.426 175.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 34.5 t80 -57.53 -41.59 81.2 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.532 0.606 . . . . 0.0 111.201 176.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 39.9 t60 -60.27 -60.64 3.49 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.077 0.951 . . . . 0.0 110.304 175.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -53.19 -34.04 55.3 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.623 1.569 . . . . 0.0 114.398 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -56.39 -47.84 78.11 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.792 1.637 . . . . 0.0 111.068 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 43.5 m80 -90.07 -20.72 22.85 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.581 1.952 . . . . 0.0 115.195 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1834 ' ' CYS . . . . . 0.429 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 8.9 t -64.77 165.03 11.14 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.953 1.301 . . . . 0.0 113.831 -177.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -147.91 -2.71 0.54 Allowed 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 -178.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -73.5 142.73 46.75 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 120.193 1.36 . . . . 0.0 112.62 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -77.08 -27.23 54.17 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 121.357 -0.84 . . . . 0.0 111.917 177.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 59.2 mtmt -136.52 50.22 2.05 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.579 1.952 . . . . 0.0 112.283 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 8.7 t -52.3 137.92 38.84 Favored Pre-proline 0 CA--C 1.556 1.176 0 C-N-CA 126.238 1.815 . . . . 0.0 111.97 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -64.87 -24.27 61.24 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 122.971 2.447 . . . . 0.0 114.33 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 92.3 t -67.48 121.51 79.27 Favored Pre-proline 0 N--CA 1.475 0.786 0 C-N-CA 124.385 1.074 . . . . 0.0 108.61 176.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -64.36 -40.12 26.36 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.809 2.339 . . . . 0.0 114.736 -174.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -77.73 -29.05 50.99 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 -178.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 50.2 t -42.6 -67.68 0.25 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.62 1.968 . . . . 0.0 112.852 -177.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 64.6 mt -52.7 -38.02 59.97 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.652 1.581 . . . . 0.0 113.738 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 51.4 t30 -64.88 -48.89 72.6 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.691 -0.631 . . . . 0.0 110.008 175.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 11.1 mm -57.06 -45.95 84.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-O 118.7 -0.667 . . . . 0.0 110.73 177.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1848 ' ' LYS . . . . . 0.429 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 69.0 mttt -52.16 -46.09 65.33 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 119.833 1.197 . . . . 0.0 111.734 176.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 44.7 t60 -61.84 -48.51 80.24 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.383 0.673 . . . . 0.0 110.948 177.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 12.3 mptt -57.0 -34.25 67.96 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.71 1.604 . . . . 0.0 112.246 176.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.2 mp -74.08 -46.43 43.06 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.479 1.911 . . . . 0.0 111.952 175.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -179.615 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 CA--C 1.545 0.772 0 CA-C-O 120.603 0.24 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -147.89 112.72 3.91 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 124.594 1.158 . . . . 0.0 110.377 176.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -48.98 -31.77 21.35 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 124.385 3.39 . . . . 0.0 117.004 -177.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -69.36 -19.83 63.84 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.52 -24.89 64.04 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -177.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.78 -42.62 97.73 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.376 1.07 . . . . 0.0 110.642 177.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.96 -47.67 35.82 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.414 1.086 . . . . 0.0 110.125 175.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 57.5 t -53.56 -38.88 35.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 O-C-N 121.297 -0.877 . . . . 0.0 111.436 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 70.9 m -56.36 -29.64 61.65 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -77.32 -22.5 51.8 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 120.428 1.467 . . . . 0.0 112.379 176.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 4.6 mt -90.16 -55.46 6.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 125.817 1.647 . . . . 0.0 110.994 177.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -143.85 88.43 7.68 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 127.561 2.344 . . . . 0.0 111.07 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -71.46 172.27 14.57 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 122.305 2.004 . . . . 0.0 111.801 177.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -64.46 -22.06 66.85 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 121.135 -0.978 . . . . 0.0 113.601 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 27.6 p -78.53 -51.95 9.21 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.153 1.781 . . . . 0.0 115.071 -178.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 35.0 m -142.81 165.69 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -173.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 41.6 ttm -83.71 60.39 5.71 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.648 1.579 . . . . 0.0 109.906 173.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 44.2 tp -48.5 -30.26 5.01 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.347 2.259 . . . . 0.0 115.591 -174.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.2 -16.91 15.5 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 177.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.7 p -70.92 -17.27 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 O-C-N 121.022 -1.048 . . . . 0.0 112.148 175.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -129.68 0.79 4.93 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.551 1.941 . . . . 0.0 114.607 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -135.9 149.95 49.16 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.234 1.814 . . . . 0.0 111.384 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.15 159.45 15.71 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.505 1.05 . . . . 0.0 114.58 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 70.5 mt -98.62 134.45 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 125.956 1.702 . . . . 0.0 110.316 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -79.08 59.86 2.82 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.847 1.659 . . . . 0.0 111.523 175.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 64.9 tp . . . . . 0 N--CA 1.482 1.144 0 O-C-N 120.92 -1.112 . . . . 0.0 110.236 172.763 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 75.2 ttt-85 . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.6 mp -66.41 -43.57 85.4 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.604 1.162 . . . . 0.0 110.86 176.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 67.7 m -58.02 -46.45 85.27 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.451 -0.781 . . . . 0.0 111.264 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 30.3 mt -56.67 -61.11 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 125.014 1.326 . . . . 0.0 110.766 176.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -61.52 -37.25 83.04 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -177.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 15.6 mmp_? -62.37 -49.63 74.78 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.312 0.96 . . . . 0.0 110.282 175.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 14.4 t -58.52 -36.76 74.32 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 122.015 -0.428 . . . . 0.0 111.372 175.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 53.4 mt -66.11 -30.31 49.54 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 C-N-CA 124.071 0.948 . . . . 0.0 112.532 176.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -63.36 -44.79 93.8 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 120.618 1.554 . . . . 0.0 109.599 174.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 17.1 m -59.9 -41.71 92.27 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.068 1.347 . . . . 0.0 111.065 175.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 56.9 tp -58.18 -55.1 39.38 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.482 1.513 . . . . 0.0 110.512 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 92.7 t -55.51 -52.54 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.636 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 31.0 t60 -51.81 -58.8 5.38 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 118.984 0.811 . . . . 0.0 111.204 177.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -58.42 -28.23 65.05 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 85.5 m -78.92 -14.05 59.44 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 177.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -120.04 -4.83 10.06 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.881 1.437 . . . . 0.0 114.881 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 7.3 t -62.89 112.85 2.74 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.703 1.201 . . . . 0.0 113.028 -176.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 47.2 ptt85 -71.86 -5.87 37.61 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 127.115 2.166 . . . . 0.0 115.239 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 32.7 t30 -127.77 107.54 9.97 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.545 1.538 . . . . 0.0 111.744 -178.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.49 -15.12 15.66 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 178.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 11.7 m120 -97.8 6.34 47.97 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.523 1.529 . . . . 0.0 113.72 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 46.9 t -52.62 115.12 1.63 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.889 1.676 . . . . 0.0 110.552 177.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 46.3 m -94.98 18.62 11.66 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.695 1.198 . . . . 0.0 114.154 -175.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 22.0 tp -67.29 125.78 91.56 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.387 1.475 . . . . 0.0 108.902 176.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -47.87 -43.97 28.24 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.37 2.713 . . . . 0.0 115.412 -177.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 5.2 p -63.17 -51.42 66.46 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.26 1.024 . . . . 0.0 111.921 177.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 13.3 t -55.57 -54.37 44.9 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.067 1.747 . . . . 0.0 110.106 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -50.71 -58.83 4.94 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.527 1.931 . . . . 0.0 112.319 176.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 92.7 mttt -59.02 -44.14 91.68 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.68 1.192 . . . . 0.0 112.022 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 48.4 tpp -64.67 -39.22 93.3 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.041 0.936 . . . . 0.0 112.97 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 12.8 mptt -51.99 -36.5 49.93 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.2 -0.938 . . . . 0.0 113.119 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 12.3 mpt_? -55.53 -56.6 18.41 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.194 0.998 . . . . 0.0 112.243 178.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 23.2 m -68.04 -32.49 56.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 47.2 t -61.41 -48.86 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.454 0.702 . . . . 0.0 109.78 175.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -63.73 -27.91 69.53 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.351 1.06 . . . . 0.0 112.321 176.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 13.5 t60 -71.12 -65.22 0.77 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.938 0.895 . . . . 0.0 110.684 176.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 10.0 t -54.43 -34.55 61.61 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -175.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -70.74 -12.56 61.63 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 177.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -130.92 -6.81 3.49 Favored Glycine 0 CA--C 1.538 1.512 0 N-CA-C 116.594 1.397 . . . . 0.0 116.594 -178.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 54.0 t -58.1 139.37 54.86 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.255 1.527 . . . . 0.0 112.492 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 60.3 tttm -88.45 -12.3 43.47 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.391 1.876 . . . . 0.0 112.807 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -105.61 -55.84 2.27 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.97 1.708 . . . . 0.0 112.307 -178.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 45.0 mtpt 54.16 -175.65 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.399 2.28 . . . . 0.0 113.837 -177.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 69.0 p -58.78 -30.88 67.9 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 120.669 -1.269 . . . . 0.0 112.841 179.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -59.02 -39.55 82.24 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.234 1.414 . . . . 0.0 112.007 176.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -91.65 -4.41 67.75 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 125.107 1.337 . . . . 0.0 113.817 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 93.14 16.2 48.37 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 125.497 1.522 . . . . 0.0 115.957 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 17.0 t -54.7 114.06 6.28 Favored Pre-proline 0 CA--C 1.554 1.125 0 CA-C-N 119.226 1.513 . . . . 0.0 112.303 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -56.14 -42.34 67.41 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 123.546 2.831 . . . . 0.0 113.828 -179.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 38.5 t -58.3 -59.53 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.07 1.348 . . . . 0.0 110.278 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 49.6 m -55.23 -47.49 75.27 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.076 1.35 . . . . 0.0 111.018 177.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -55.05 -44.55 74.8 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.302 -0.874 . . . . 0.0 112.94 178.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -64.4 -35.17 80.03 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.661 0.664 . . . . 0.0 112.254 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 4.6 mt -65.9 -50.8 63.17 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.536 0.607 . . . . 0.0 109.901 173.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 24.1 mm -59.35 -36.81 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 118.814 -0.612 . . . . 0.0 111.799 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -57.75 -49.33 76.94 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 119.761 1.164 . . . . 0.0 111.348 176.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.37 -42.31 88.16 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.581 1.152 . . . . 0.0 111.297 176.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 81.4 m -59.66 -40.08 86.53 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.926 0.785 . . . . 0.0 111.043 174.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 49.7 t -64.72 -51.56 61.77 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.138 1.375 . . . . 0.0 110.786 176.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 35.5 t80 -56.71 -41.49 77.53 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.627 0.649 . . . . 0.0 111.397 176.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 56.1 t60 -60.48 -59.28 5.65 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.616 0.766 . . . . 0.0 110.124 174.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -55.22 -28.93 56.59 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.663 1.585 . . . . 0.0 114.676 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -56.59 -46.38 80.85 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.702 1.601 . . . . 0.0 110.686 176.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 49.4 m80 -89.93 -30.17 18.02 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.987 2.115 . . . . 0.0 114.201 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 14.1 t -66.86 165.0 16.16 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.189 1.395 . . . . 0.0 113.303 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -155.87 -2.95 0.13 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.888 2.075 . . . . 0.0 114.768 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -69.23 114.94 7.95 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.827 -1.17 . . . . 0.0 110.968 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -15.76 35.66 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 -177.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -129.63 26.79 5.3 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.486 1.914 . . . . 0.0 113.463 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 10.5 t -47.85 133.97 11.28 Favored Pre-proline 0 CA--C 1.558 1.255 0 C-N-CA 126.422 1.889 . . . . 0.0 112.346 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.34 -24.85 64.38 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.64 2.893 . . . . 0.0 115.484 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 84.3 t -65.46 116.13 28.33 Favored Pre-proline 0 N--CA 1.477 0.875 0 C-N-CA 124.742 1.217 . . . . 0.0 109.994 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -48.54 -52.27 8.79 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 124.241 3.294 . . . . 0.0 116.016 -176.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -78.03 -23.76 48.1 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 114.657 1.355 . . . . 0.0 114.657 -177.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 44.0 t -46.19 -64.74 0.68 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.268 1.427 . . . . 0.0 112.005 -178.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 56.6 mt -53.49 -39.08 64.28 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.882 1.273 . . . . 0.0 114.019 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -62.37 -49.73 74.39 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.434 0.561 . . . . 0.0 109.834 176.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 7.4 mm -59.25 -48.59 86.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-O 119.025 -0.512 . . . . 0.0 110.234 176.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -52.94 -43.93 66.69 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 119.634 1.106 . . . . 0.0 112.082 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 64.0 t60 -62.11 -53.19 58.94 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.282 0.633 . . . . 0.0 110.573 176.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 8.7 mptt -51.05 -43.61 60.97 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.236 1.414 . . . . 0.0 111.212 176.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 3.7 mp -58.4 -30.69 67.04 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.141 1.776 . . . . 0.0 114.671 177.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? . . . . . 0 N--CA 1.479 1.021 0 CA-C-N 119.311 0.96 . . . . 0.0 111.829 176.242 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 CA--C 1.543 0.684 0 CA-C-O 121.05 0.452 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -147.28 118.89 4.63 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 125.793 1.637 . . . . 0.0 109.265 175.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -48.19 -30.62 15.04 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 124.181 3.254 . . . . 0.0 116.642 -177.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -77.38 -17.89 57.8 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -57.95 -33.42 68.83 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -174.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.74 -44.7 89.28 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.313 1.045 . . . . 0.0 111.223 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.87 -26.16 64.99 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.253 1.021 . . . . 0.0 113.331 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 65.3 t -79.41 -48.97 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.542 1.137 . . . . 0.0 110.109 176.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 48.9 m -49.31 -42.38 41.26 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.048 1.739 . . . . 0.0 114.815 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 -64.74 -26.3 68.3 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 8.4 mt -90.01 -55.95 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 126.475 1.91 . . . . 0.0 109.425 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -153.45 102.33 2.57 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 127.545 2.338 . . . . 0.0 113.343 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -78.43 175.27 11.27 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 123.284 2.656 . . . . 0.0 111.347 176.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -77.99 -16.85 57.78 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 120.92 -1.112 . . . . 0.0 113.567 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 23.9 p -77.58 -50.22 13.01 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.23 1.812 . . . . 0.0 114.187 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 35.9 m -139.79 159.02 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.818 1.647 . . . . 0.0 112.921 -177.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 89.7 mmm -80.23 56.57 2.5 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.767 1.227 . . . . 0.0 111.414 176.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 tt -49.67 -31.42 10.97 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.4 1.88 . . . . 0.0 113.003 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.06 -29.22 28.85 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 175.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 1.8 p -62.92 -17.91 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 119.619 1.1 . . . . 0.0 113.814 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -127.06 14.95 7.35 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.867 2.067 . . . . 0.0 113.079 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -131.06 174.99 9.46 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.577 1.951 . . . . 0.0 111.81 -177.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.24 165.75 32.91 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.001 1.286 . . . . 0.0 113.306 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 62.9 mt -122.47 118.05 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 126.076 1.751 . . . . 0.0 108.919 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -74.9 65.57 1.42 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.001 1.32 . . . . 0.0 113.26 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 51.4 tp . . . . . 0 CA--C 1.551 1.001 0 O-C-N 120.517 -1.364 . . . . 0.0 112.615 176.5 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 37.3 mt -66.79 -41.99 86.73 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.24 1.416 . . . . 0.0 111.068 176.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 48.6 p -62.5 -39.62 94.08 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.214 0.915 . . . . 0.0 111.644 178.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 79.3 mt -58.8 -63.99 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 125.482 1.513 . . . . 0.0 110.112 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -60.16 -33.59 72.4 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -178.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -66.36 -51.46 56.95 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.757 0.823 . . . . 0.0 110.743 175.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 23.0 t -58.01 -34.75 70.35 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 118.524 0.602 . . . . 0.0 111.501 176.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 50.8 mt -62.05 -28.07 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 O-C-N 121.005 -1.059 . . . . 0.0 112.452 176.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -63.32 -46.07 88.34 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.379 1.445 . . . . 0.0 109.559 174.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 9.0 m -59.7 -40.75 88.97 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.773 1.629 . . . . 0.0 111.184 175.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.19 -54.62 44.89 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.337 1.455 . . . . 0.0 110.648 176.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 91.8 t -55.61 -50.46 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-O 118.428 -0.796 . . . . 0.0 110.45 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 27.2 t60 -52.57 -58.22 7.48 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.789 0.722 . . . . 0.0 111.012 177.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -56.55 -29.5 62.03 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 91.3 m -78.3 -14.15 59.54 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -120.04 -12.96 9.04 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 8.7 t -58.87 124.22 19.11 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.78 1.632 . . . . 0.0 112.175 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -78.73 -14.09 59.47 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.785 2.034 . . . . 0.0 115.407 -175.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 29.1 t30 -131.37 113.01 13.24 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.868 1.267 . . . . 0.0 112.702 -176.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -58.97 -15.89 15.26 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -92.11 6.93 44.69 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.144 1.777 . . . . 0.0 113.691 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 44.4 t -44.74 130.43 7.06 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 127.204 2.202 . . . . 0.0 113.0 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 20.2 m -75.43 -9.35 58.49 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 -176.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 16.9 tp -71.7 122.38 87.07 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 124.506 1.123 . . . . 0.0 112.373 -177.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.92 -41.79 61.54 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 123.147 2.564 . . . . 0.0 113.321 177.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 70.4 m -57.2 -49.06 77.17 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.328 1.451 . . . . 0.0 112.135 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 25.2 t -60.98 -56.3 22.73 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.924 1.69 . . . . 0.0 109.909 177.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -51.14 -52.06 47.55 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.566 1.546 . . . . 0.0 113.129 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -64.26 -45.43 88.12 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.29 1.036 . . . . 0.0 111.736 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 46.8 tpp -60.29 -39.5 87.15 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.962 0.905 . . . . 0.0 112.317 176.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -52.51 -34.77 51.18 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.108 0.963 . . . . 0.0 113.475 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -58.65 -58.51 8.24 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-N 119.9 1.227 . . . . 0.0 111.942 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 27.0 m -65.97 -33.9 66.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 118.306 0.503 . . . . 0.0 112.333 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 43.7 t -62.71 -47.22 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.841 0.856 . . . . 0.0 110.199 175.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -63.0 -30.02 71.27 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.439 1.096 . . . . 0.0 112.098 175.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 9.6 t60 -67.27 -65.28 0.7 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.495 0.718 . . . . 0.0 109.988 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 9.3 t -55.57 -34.75 65.05 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -175.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -72.81 -16.23 61.62 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -116.13 -9.13 12.29 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 125.702 1.62 . . . . 0.0 115.704 -178.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 9.5 t -64.81 168.98 5.56 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.728 1.611 . . . . 0.0 112.604 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -122.91 3.0 9.43 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.461 2.304 . . . . 0.0 112.812 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -130.02 179.85 5.63 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 128.836 2.854 . . . . 0.0 109.405 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1812 ' ' LYS . . . . . 0.429 ' HG3' ' H ' ' A' 1813 ' ' THR . 10.2 tptm -162.45 -172.25 3.09 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 126.189 1.796 . . . . 0.0 110.762 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . 0.429 ' H ' ' HG3' ' A' 1812 ' ' LYS . 22.8 p -51.32 -47.48 62.65 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.589 1.956 . . . . 0.0 112.336 176.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 40.7 t30 -61.66 -32.27 72.43 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.208 1.403 . . . . 0.0 112.875 178.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -86.66 -23.22 43.51 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 124.734 1.159 . . . . 0.0 113.377 177.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 107.23 10.56 27.48 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 126.236 1.874 . . . . 0.0 116.946 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 9.6 t -61.24 111.03 3.59 Favored Pre-proline 0 CA--C 1.551 0.995 0 CA-C-N 120.31 2.055 . . . . 0.0 111.647 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -59.7 -47.67 15.36 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.84 2.36 . . . . 0.0 113.911 -177.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 42.8 t -56.64 -56.45 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 CA-C-N 119.162 0.892 . . . . 0.0 111.364 -178.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 62.1 m -54.63 -45.66 73.79 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.484 1.114 . . . . 0.0 110.442 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -55.8 -42.61 75.87 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.122 0.969 . . . . 0.0 112.642 177.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -61.31 -43.91 98.09 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.202 0.91 . . . . 0.0 111.166 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 6.3 mt -63.95 -53.92 42.68 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.982 0.513 . . . . 0.0 111.601 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 37.3 mm -56.4 -36.17 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.794 0.838 . . . . 0.0 112.431 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -58.34 -48.07 81.75 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.728 1.149 . . . . 0.0 111.678 175.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.85 -42.32 81.53 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.738 1.215 . . . . 0.0 111.283 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 97.6 m -58.55 -40.09 82.04 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.296 0.953 . . . . 0.0 110.909 174.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 49.3 t -64.16 -51.96 61.34 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.196 0.998 . . . . 0.0 111.116 176.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 32.7 t80 -56.16 -42.89 77.72 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.465 0.706 . . . . 0.0 111.309 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 44.4 t60 -58.97 -59.46 5.43 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.126 0.97 . . . . 0.0 110.147 175.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -54.12 -32.62 55.57 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.379 1.472 . . . . 0.0 114.644 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -56.28 -46.5 79.71 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.907 1.683 . . . . 0.0 111.114 177.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 47.6 m80 -90.24 -26.04 20.27 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.55 1.94 . . . . 0.0 114.634 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1834 ' ' CYS . . . . . 0.431 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 9.1 t -64.42 151.26 44.61 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.723 1.209 . . . . 0.0 113.602 -177.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -138.07 -1.36 1.97 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.409 1.884 . . . . 0.0 114.145 -178.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -73.74 134.31 43.46 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 120.646 -1.284 . . . . 0.0 112.133 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 31.0 t30 -71.41 -24.76 62.11 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -178.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -135.2 45.76 2.47 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 126.804 2.042 . . . . 0.0 112.03 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 25.8 t -53.66 136.89 53.63 Favored Pre-proline 0 CA--C 1.559 1.297 0 C-N-CA 125.703 1.601 . . . . 0.0 112.659 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -65.48 -25.03 55.97 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 123.474 2.782 . . . . 0.0 114.796 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 82.3 t -65.24 125.66 89.82 Favored Pre-proline 0 N--CA 1.476 0.864 0 CA-C-N 119.357 0.981 . . . . 0.0 109.211 178.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -62.8 -48.28 7.22 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.116 2.544 . . . . 0.0 115.104 -174.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -76.77 -24.44 52.9 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -177.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 53.0 t -41.99 -67.73 0.24 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.501 1.92 . . . . 0.0 113.145 -177.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 1.1 mp -52.35 -40.66 62.25 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.227 1.411 . . . . 0.0 113.846 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -62.19 -48.38 80.29 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.847 0.459 . . . . 0.0 110.265 176.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 10.7 mm -57.96 -47.22 87.09 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 118.531 -0.747 . . . . 0.0 110.516 176.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1848 ' ' LYS . . . . . 0.431 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 65.6 mttt -52.59 -46.5 66.96 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 120.004 1.275 . . . . 0.0 111.614 177.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 55.9 t60 -60.77 -45.7 93.35 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.969 0.907 . . . . 0.0 111.604 177.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -60.11 -46.36 89.88 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.395 1.478 . . . . 0.0 111.211 175.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.5 mp -58.28 -38.15 76.42 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.902 1.681 . . . . 0.0 112.191 176.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 . . . . . 0 N--CA 1.476 0.867 0 C-N-CA 124.278 1.031 . . . . 0.0 113.739 177.803 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 CA--C 1.54 0.576 0 CA-C-O 121.202 0.525 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -152.31 120.7 3.26 Favored Pre-proline 0 CA--C 1.545 0.766 0 C-N-CA 124.42 1.088 . . . . 0.0 110.307 -177.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -51.04 -29.85 29.22 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.505 2.804 . . . . 0.0 115.843 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -71.96 -21.31 61.61 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.097 0.959 . . . . 0.0 113.042 178.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -60.7 -29.51 69.37 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 120.039 1.29 . . . . 0.0 113.723 -176.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -64.41 -35.82 82.15 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.408 1.083 . . . . 0.0 111.246 176.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.58 -31.78 63.79 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.123 0.969 . . . . 0.0 111.629 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 28.8 t -71.29 -46.44 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-N 118.608 0.64 . . . . 0.0 109.608 175.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 8.6 t -47.18 -51.91 17.09 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.437 2.295 . . . . 0.0 114.536 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -64.48 -21.15 66.58 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 13.1 mt -90.24 -53.92 8.37 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 C-N-CA 125.645 1.578 . . . . 0.0 109.981 176.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -153.03 102.83 2.64 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 128.06 2.544 . . . . 0.0 111.099 177.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -77.21 175.14 11.71 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 122.83 2.354 . . . . 0.0 112.33 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -65.35 -26.36 67.99 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.06 -1.025 . . . . 0.0 112.971 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 19.0 m -69.81 -47.32 63.25 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.608 1.563 . . . . 0.0 114.812 -178.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 29.8 m -146.14 158.41 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 125.181 1.392 . . . . 0.0 113.297 -176.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 51.0 ttm -79.47 64.92 4.49 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.599 1.159 . . . . 0.0 110.191 174.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 17.9 tp -55.28 -21.58 15.18 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.142 1.377 . . . . 0.0 113.088 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.28 -22.14 17.38 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.199 1.4 . . . . 0.0 113.415 174.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.3 p -72.6 -13.99 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.05 0.94 . . . . 0.0 112.944 176.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -128.19 -22.83 3.37 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.412 1.485 . . . . 0.0 114.193 178.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -72.29 161.34 30.98 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.047 1.339 . . . . 0.0 111.678 176.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.59 96.29 0.17 Allowed Glycine 0 CA--C 1.531 1.07 0 C-N-CA 125.01 1.29 . . . . 0.0 112.839 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 67.8 mt -63.55 103.73 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.658 1.583 . . . . 0.0 109.469 178.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -77.58 59.3 1.93 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.178 1.391 . . . . 0.0 112.607 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 tt . . . . . 0 N--CA 1.475 0.792 0 C-N-CA 126.17 1.788 . . . . 0.0 113.425 -178.933 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 30.7 ttm-85 . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 8.5 mp -70.06 -43.45 71.17 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.03 1.332 . . . . 0.0 111.476 177.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 57.7 m -62.75 -41.55 99.25 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.36 -0.837 . . . . 0.0 111.569 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 40.4 mt -55.39 -62.37 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 125.512 1.525 . . . . 0.0 109.911 176.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -60.17 -44.85 94.72 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -57.9 -47.04 83.99 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.074 0.852 . . . . 0.0 111.478 176.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 26.6 t -61.65 -38.48 87.86 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 122.825 0.45 . . . . 0.0 111.04 175.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 51.5 mt -63.72 -37.53 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.363 1.065 . . . . 0.0 112.249 177.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -58.28 -44.12 88.33 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 120.455 1.48 . . . . 0.0 110.095 174.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 25.1 m -65.14 -36.47 84.37 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.916 0.886 . . . . 0.0 112.138 175.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.02 -52.85 63.63 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.056 1.742 . . . . 0.0 109.512 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 90.4 t -56.71 -50.71 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.877 0.871 . . . . 0.0 110.226 176.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 34.0 t60 -52.1 -58.0 7.88 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.735 0.814 . . . . 0.0 111.03 177.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -55.73 -30.38 61.11 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 89.0 m -74.22 -15.09 61.01 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 177.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -119.84 -15.13 8.9 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.181 1.392 . . . . 0.0 114.134 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 15.5 t -60.83 119.1 7.55 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.39 1.876 . . . . 0.0 111.678 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -74.06 -8.5 56.35 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 126.429 1.892 . . . . 0.0 115.683 -175.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 25.8 t30 -140.35 115.02 9.49 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.472 1.109 . . . . 0.0 112.722 -176.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.75 -15.46 20.28 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 177.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -93.53 11.28 29.18 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 126.564 1.946 . . . . 0.0 113.538 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 52.9 t -44.88 138.15 3.7 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 127.564 2.346 . . . . 0.0 112.969 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 78.9 p -73.48 -5.36 39.58 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 -176.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 27.0 tp -77.8 119.15 76.28 Favored Pre-proline 0 CA--C 1.549 0.937 0 CA-C-N 120.312 1.414 . . . . 0.0 110.829 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.11 -42.15 39.68 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 123.356 2.704 . . . . 0.0 114.899 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 91.1 p -70.8 -37.15 73.26 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 49.7 t -59.38 -50.14 75.1 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.433 1.493 . . . . 0.0 109.776 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -49.19 -50.09 39.64 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.546 1.538 . . . . 0.0 111.977 176.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -66.08 -50.73 63.08 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.51 1.124 . . . . 0.0 111.821 177.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 57.4 tpp -54.37 -40.99 68.65 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.011 1.324 . . . . 0.0 113.077 178.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -51.97 -37.33 52.6 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.049 0.939 . . . . 0.0 113.223 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -60.73 -57.64 11.84 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.557 1.071 . . . . 0.0 111.848 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 17.8 m -62.4 -36.94 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 118.523 0.601 . . . . 0.0 112.196 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 44.9 t -61.24 -50.94 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.007 0.923 . . . . 0.0 110.332 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -63.01 -29.54 70.9 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.188 0.995 . . . . 0.0 112.405 176.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.4 t60 -68.54 -66.95 0.51 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.157 0.983 . . . . 0.0 110.0 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 2.8 t -56.7 -33.22 66.25 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 -174.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -69.35 -14.08 62.72 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -133.28 0.36 4.31 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 124.953 1.263 . . . . 0.0 116.154 -178.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 49.6 t -56.01 129.98 42.03 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.026 1.413 . . . . 0.0 112.732 -178.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -72.86 -7.18 49.63 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.598 1.559 . . . . 0.0 113.032 178.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -119.95 -55.54 2.07 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.731 2.013 . . . . 0.0 111.769 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1812 ' ' LYS . . . . . 0.46 ' HG2' ' H ' ' A' 1813 ' ' THR . 22.5 tttm 54.4 -175.69 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 127.596 2.358 . . . . 0.0 113.536 -177.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . 0.46 ' H ' ' HG2' ' A' 1812 ' ' LYS . 81.2 p -57.67 -32.94 67.82 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 120.34 -1.475 . . . . 0.0 112.601 178.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 38.1 t30 -58.5 -40.0 81.6 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.408 1.483 . . . . 0.0 112.267 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -91.28 -5.44 67.46 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 125.065 1.317 . . . . 0.0 113.866 177.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 97.02 14.8 41.23 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.622 1.582 . . . . 0.0 116.122 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 25.3 t -56.76 119.25 28.28 Favored Pre-proline 0 CA--C 1.552 1.023 0 CA-C-N 119.432 1.616 . . . . 0.0 111.761 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -65.06 -38.21 29.34 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.941 2.427 . . . . 0.0 113.739 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 64.5 t -58.46 -57.69 9.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.248 1.019 . . . . 0.0 110.34 178.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 56.6 m -53.78 -45.58 70.73 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.372 1.469 . . . . 0.0 110.642 177.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -40.81 74.18 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 118.208 -0.901 . . . . 0.0 112.233 177.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -62.94 -44.91 94.79 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.666 1.121 . . . . 0.0 111.426 177.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.79 -50.1 68.11 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 122.933 0.493 . . . . 0.0 111.755 178.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 39.7 mm -64.19 -31.52 53.7 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 124.158 0.983 . . . . 0.0 112.034 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -58.88 -49.24 78.51 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 120.371 1.441 . . . . 0.0 110.584 174.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.81 -42.6 97.65 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.525 1.13 . . . . 0.0 110.827 175.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 11.0 t -59.79 -35.78 75.36 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 118.649 0.659 . . . . 0.0 111.676 174.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 37.1 t -67.92 -49.1 63.84 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.32 1.048 . . . . 0.0 110.645 176.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 24.7 t80 -57.5 -37.54 73.15 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.242 0.617 . . . . 0.0 111.199 175.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 41.7 t60 -64.29 -63.17 1.21 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.526 1.13 . . . . 0.0 109.955 173.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -50.74 -37.03 39.44 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.409 1.883 . . . . 0.0 114.588 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -55.51 -46.78 76.93 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 126.364 1.865 . . . . 0.0 111.494 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 32.7 m80 -90.02 -24.71 21.14 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.321 1.448 . . . . 0.0 114.232 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1834 ' ' CYS . . . . . 0.45 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 14.4 t -64.31 151.27 44.29 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.74 1.616 . . . . 0.0 112.994 -178.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -136.49 -3.77 2.11 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.075 1.75 . . . . 0.0 114.311 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -76.12 115.45 15.85 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.715 -1.241 . . . . 0.0 111.687 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 36.9 t30 -61.39 -17.55 54.62 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -131.72 35.78 3.77 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.88 2.072 . . . . 0.0 113.038 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 18.0 t -50.54 135.45 25.34 Favored Pre-proline 0 CA--C 1.559 1.321 0 C-N-CA 126.206 1.803 . . . . 0.0 112.432 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -66.16 -19.43 56.82 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 123.67 2.913 . . . . 0.0 115.627 -177.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 74.8 t -68.56 117.51 51.04 Favored Pre-proline 0 N--CA 1.475 0.818 0 C-N-CA 124.394 1.078 . . . . 0.0 109.709 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -48.74 -51.32 10.61 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 124.297 3.331 . . . . 0.0 116.378 -176.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -81.36 -23.1 37.93 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -176.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 48.6 t -42.58 -65.21 0.5 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.331 1.853 . . . . 0.0 112.815 -177.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 58.6 mt -54.33 -37.09 64.47 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.343 1.457 . . . . 0.0 113.573 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 55.1 t30 -65.91 -46.77 77.04 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 118.627 0.649 . . . . 0.0 110.207 175.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 11.4 mm -58.06 -47.48 86.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-O 118.704 -0.665 . . . . 0.0 110.401 176.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1848 ' ' LYS . . . . . 0.45 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 69.7 mttt -52.29 -46.23 65.84 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 119.724 1.147 . . . . 0.0 111.549 176.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 50.5 t60 -60.37 -51.41 69.61 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.559 0.744 . . . . 0.0 110.746 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 11.1 mptt -54.24 -42.4 69.84 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.203 1.401 . . . . 0.0 111.66 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.7 mp -62.57 -46.18 89.51 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.915 1.686 . . . . 0.0 112.07 176.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 . . . . . 0 N--CA 1.477 0.923 0 C-N-CA 123.864 0.866 . . . . 0.0 113.203 177.451 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 CA--C 1.54 0.573 0 CA-C-O 120.992 0.425 . . . . 0.0 111.967 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -155.48 152.23 24.1 Favored Pre-proline 0 CA--C 1.542 0.641 0 C-N-CA 126.16 1.784 . . . . 0.0 110.366 177.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -71.74 -7.57 21.41 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.378 2.052 . . . . 0.0 114.906 -176.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -95.36 -11.64 27.41 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.56 -34.79 74.68 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.139 -0.975 . . . . 0.0 112.957 -176.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -72.03 -33.26 67.88 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.586 1.154 . . . . 0.0 111.672 176.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.71 -43.6 68.64 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.368 1.067 . . . . 0.0 111.432 177.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 33.1 m -73.01 -37.53 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 119.142 0.883 . . . . 0.0 111.906 176.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 73.7 m -57.85 -42.32 84.23 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -177.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -68.89 -23.59 64.22 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 15.9 mt -90.19 -52.44 10.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 C-N-CA 126.325 1.85 . . . . 0.0 111.223 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -150.36 91.05 4.23 Favored Pre-proline 0 CA--C 1.559 1.306 0 C-N-CA 129.332 3.053 . . . . 0.0 112.323 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -74.89 173.99 13.51 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 123.086 2.524 . . . . 0.0 113.103 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -70.52 -22.29 62.64 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.3 -0.875 . . . . 0.0 112.931 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 24.9 p -73.8 -54.16 8.64 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.326 1.85 . . . . 0.0 113.694 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 20.2 m -140.63 160.46 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.624 1.57 . . . . 0.0 112.951 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 96.7 mmm -81.93 67.13 7.8 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.345 1.058 . . . . 0.0 110.89 175.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.42 -28.0 18.14 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.52 -19.58 3.91 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.5 p -75.96 -15.99 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 119.233 0.924 . . . . 0.0 113.094 176.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -130.1 -26.55 2.36 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.99 1.716 . . . . 0.0 114.643 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -80.99 160.92 24.47 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.056 2.142 . . . . 0.0 111.999 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -133.48 159.98 23.83 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.99 1.281 . . . . 0.0 113.586 178.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 82.1 mt -119.85 116.1 49.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 126.399 1.879 . . . . 0.0 109.074 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -77.81 64.58 3.09 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.564 1.146 . . . . 0.0 112.752 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 tt . . . . . 0 N--CA 1.474 0.752 0 C-N-CA 125.589 1.556 . . . . 0.0 112.559 177.233 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 . . . . . 0 N--CA 1.478 0.942 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 50.2 mt -65.77 -38.39 88.91 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.606 1.163 . . . . 0.0 111.376 176.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 55.0 m -64.46 -44.43 91.12 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.496 -0.752 . . . . 0.0 111.175 178.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 64.4 mt -54.69 -60.62 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 124.405 1.082 . . . . 0.0 110.782 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -60.92 -32.59 72.08 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -65.0 -52.03 58.38 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.888 0.875 . . . . 0.0 110.655 175.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 32.2 t -59.13 -35.39 73.37 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.038 0.835 . . . . 0.0 111.596 176.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 51.2 mt -60.87 -25.11 34.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 C-N-CA 124.35 1.06 . . . . 0.0 112.331 175.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -64.8 -42.76 94.76 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 120.135 -1.603 . . . . 0.0 109.666 172.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 8.1 t -62.25 -41.21 98.24 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.335 1.054 . . . . 0.0 111.274 174.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 58.6 tp -54.41 -51.95 63.27 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.454 1.101 . . . . 0.0 110.938 175.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 48.0 t -61.58 -50.72 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.251 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 34.0 t60 -52.12 -58.87 5.27 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.483 1.038 . . . . 0.0 111.761 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.33 -33.02 67.3 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 12.7 p -76.14 -12.62 60.14 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -120.09 -7.78 9.83 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.242 1.417 . . . . 0.0 114.735 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 12.9 t -61.93 116.77 5.15 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.356 1.462 . . . . 0.0 111.41 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -74.73 -6.26 47.86 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.032 1.733 . . . . 0.0 115.546 -175.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 30.8 t30 -135.99 110.84 8.76 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.575 1.15 . . . . 0.0 112.28 -177.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -58.23 -16.04 12.29 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 178.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -90.78 4.89 50.42 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.109 1.764 . . . . 0.0 113.694 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 49.5 t -45.17 122.94 3.65 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.074 2.15 . . . . 0.0 112.348 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 15.4 m -73.54 -4.83 36.39 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 115.9 1.815 . . . . 0.0 115.9 -175.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 13.2 tp -66.18 133.28 94.6 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-N 120.697 1.59 . . . . 0.0 109.854 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -64.36 -38.21 35.55 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 121.719 1.613 . . . . 0.0 111.708 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 20.2 m -63.12 -49.47 74.27 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.982 1.313 . . . . 0.0 111.85 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 35.1 t -55.83 -52.25 64.66 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.465 1.506 . . . . 0.0 110.708 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -54.33 -48.72 71.06 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.779 1.231 . . . . 0.0 112.305 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -60.89 -48.9 79.7 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 118.835 0.743 . . . . 0.0 111.407 175.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 3.1 tpt -54.8 -41.02 70.09 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.938 0.895 . . . . 0.0 112.098 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 13.8 mptt -54.02 -35.41 61.9 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 117.799 -1.096 . . . . 0.0 113.064 177.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -63.36 -54.23 40.05 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 120.181 1.355 . . . . 0.0 111.496 177.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 22.9 m -64.11 -37.3 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-N 118.645 0.657 . . . . 0.0 112.039 178.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 45.7 t -61.12 -46.73 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.137 0.975 . . . . 0.0 110.428 175.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.32 -31.37 72.5 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.749 1.219 . . . . 0.0 111.942 175.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 7.7 t60 -67.84 -64.49 0.85 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.647 0.779 . . . . 0.0 110.262 176.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 13.1 t -54.18 -35.0 61.84 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 114.403 1.261 . . . . 0.0 114.403 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -75.01 -13.2 60.48 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 177.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -127.52 -5.94 5.32 Favored Glycine 0 CA--C 1.539 1.556 0 N-CA-C 116.836 1.494 . . . . 0.0 116.836 -177.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 48.9 t -59.72 154.02 19.02 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.169 1.485 . . . . 0.0 112.774 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.14 0.14 23.2 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 127.41 2.284 . . . . 0.0 113.954 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -119.03 -56.58 2.09 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.903 1.681 . . . . 0.0 111.491 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 45.5 mtpt 52.98 -173.78 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.148 2.179 . . . . 0.0 113.934 -178.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 15.0 p -59.02 -25.77 63.96 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 120.439 -1.413 . . . . 0.0 112.73 176.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 37.3 t30 -58.95 -39.42 81.6 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.071 1.349 . . . . 0.0 111.823 175.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -98.89 -5.33 56.53 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 125.529 1.538 . . . . 0.0 114.082 177.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 94.47 17.66 38.48 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 125.652 1.596 . . . . 0.0 116.013 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 12.1 t -54.67 112.96 4.56 Favored Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 125.427 1.491 . . . . 0.0 112.553 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -55.62 -42.07 71.39 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.912 3.075 . . . . 0.0 114.876 -177.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 41.3 t -61.44 -54.2 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.607 0.763 . . . . 0.0 110.878 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 47.7 m -56.96 -44.62 82.78 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.545 1.138 . . . . 0.0 110.731 177.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -50.69 72.46 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.779 1.231 . . . . 0.0 110.198 175.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -53.79 -45.42 70.7 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.693 1.197 . . . . 0.0 112.02 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.35 -51.02 63.32 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.815 0.734 . . . . 0.0 110.981 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 65.9 mt -60.76 -32.07 51.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 124.427 1.091 . . . . 0.0 111.452 178.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -59.95 -55.11 38.08 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.94 1.296 . . . . 0.0 110.206 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.13 -38.81 90.36 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.472 -0.768 . . . . 0.0 111.565 176.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 72.1 m -61.4 -38.15 86.05 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 118.932 0.787 . . . . 0.0 111.301 173.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 43.2 t -66.44 -48.6 69.44 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.675 1.19 . . . . 0.0 111.036 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 37.6 t80 -57.02 -43.61 82.04 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.012 0.525 . . . . 0.0 110.669 175.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 37.0 t60 -58.59 -58.16 9.79 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.747 0.819 . . . . 0.0 109.808 175.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -52.46 -34.39 48.82 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.92 1.688 . . . . 0.0 114.691 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -56.9 -46.54 81.87 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.988 1.715 . . . . 0.0 111.038 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 49.5 m80 -90.14 -25.24 20.8 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.526 1.93 . . . . 0.0 114.685 -178.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1834 ' ' CYS . . . . . 0.483 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 8.7 t -64.88 164.08 13.16 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.456 1.502 . . . . 0.0 113.694 -178.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -149.02 -5.84 0.39 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.066 1.746 . . . . 0.0 115.196 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -76.01 111.37 11.33 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 120.959 -1.088 . . . . 0.0 111.485 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -59.4 -11.06 3.74 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 116.289 1.959 . . . . 0.0 116.289 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -133.11 27.46 4.19 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.291 2.236 . . . . 0.0 113.064 -178.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 15.0 t -48.49 134.53 13.15 Favored Pre-proline 0 CA--C 1.559 1.302 0 C-N-CA 126.662 1.985 . . . . 0.0 113.123 -178.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -66.68 -21.71 51.4 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 123.796 2.997 . . . . 0.0 115.722 -177.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 75.6 t -64.73 119.4 57.27 Favored Pre-proline 0 N--CA 1.477 0.89 0 CA-C-N 119.599 1.09 . . . . 0.0 110.331 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -47.03 -56.54 2.95 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 124.663 3.575 . . . . 0.0 116.572 -176.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -79.72 -19.02 49.82 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.789 1.404 . . . . 0.0 114.789 -176.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 52.5 t -45.95 -68.86 0.16 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.646 1.578 . . . . 0.0 112.68 -177.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 59.5 mt -54.32 -36.16 63.45 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.239 1.416 . . . . 0.0 113.655 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -63.91 -49.11 73.93 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.463 0.705 . . . . 0.0 110.227 175.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 8.3 mm -59.66 -46.55 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-O 118.562 -0.732 . . . . 0.0 110.473 175.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1848 ' ' LYS . . . . . 0.483 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 69.2 mttt -51.78 -47.27 64.26 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 119.666 1.121 . . . . 0.0 110.992 177.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 48.0 t60 -57.68 -49.41 76.6 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.498 0.719 . . . . 0.0 110.805 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -58.06 -40.98 82.36 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 118.735 0.698 . . . . 0.0 111.78 177.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.64 -39.56 91.76 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.455 1.502 . . . . 0.0 112.062 176.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? . . . . . 0 N--CA 1.48 1.06 0 CA-C-N 118.974 0.806 . . . . 0.0 112.625 176.448 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 CA--C 1.541 0.625 0 CA-C-O 121.134 0.492 . . . . 0.0 111.798 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -157.7 135.72 7.38 Favored Pre-proline 0 CA--C 1.549 0.904 0 C-N-CA 126.646 1.978 . . . . 0.0 109.542 176.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -64.74 -12.63 34.92 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.929 2.419 . . . . 0.0 115.547 -177.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -103.58 -7.2 20.98 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.091 1.356 . . . . 0.0 113.214 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -57.57 -35.51 70.47 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -172.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -59.25 -46.98 87.06 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.356 1.062 . . . . 0.0 110.588 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.15 -22.7 66.96 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.459 1.104 . . . . 0.0 113.35 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 38.5 t -79.92 -50.73 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-N 119.06 0.845 . . . . 0.0 109.175 175.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 37.4 m -54.78 -39.2 68.17 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.144 1.377 . . . . 0.0 114.698 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -63.2 -24.78 68.03 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 119.337 0.971 . . . . 0.0 113.1 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 7.4 mt -90.07 -53.58 8.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 125.981 1.712 . . . . 0.0 109.419 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -151.52 101.61 2.93 Favored Pre-proline 0 CA--C 1.551 1.008 0 C-N-CA 127.147 2.179 . . . . 0.0 111.343 179.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -76.1 172.01 17.06 Favored 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 122.46 2.107 . . . . 0.0 110.595 176.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -69.43 -22.02 63.7 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 120.699 -1.25 . . . . 0.0 112.989 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 18.1 m -71.59 -46.88 58.04 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.956 1.702 . . . . 0.0 114.823 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.8 m -144.9 159.36 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 125.213 1.405 . . . . 0.0 112.978 -177.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 48.1 tpp -80.3 65.08 5.33 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.33 1.052 . . . . 0.0 110.857 175.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 56.2 tp -55.71 -25.15 38.69 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.132 1.373 . . . . 0.0 113.202 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.41 -18.6 51.87 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.287 1.035 . . . . 0.0 113.339 175.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 1.8 p -71.62 -13.16 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.243 1.017 . . . . 0.0 112.627 176.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -132.64 -25.34 1.9 Allowed 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -73.72 124.1 25.37 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.026 -1.046 . . . . 0.0 113.102 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -85.96 93.72 1.88 Allowed Glycine 0 CA--C 1.532 1.137 0 C-N-CA 125.354 1.454 . . . . 0.0 111.923 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 7.3 mm -67.83 103.26 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.999 1.32 . . . . 0.0 111.73 -176.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -74.52 61.05 0.91 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.914 2.086 . . . . 0.0 113.225 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 tt . . . . . 0 N--CA 1.475 0.82 0 C-N-CA 124.623 1.169 . . . . 0.0 111.712 176.751 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 34.7 ttm105 . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 71.7 mt -76.88 -40.62 46.88 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.244 1.017 . . . . 0.0 110.908 175.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 62.8 m -65.81 -49.64 67.51 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.697 0.799 . . . . 0.0 112.28 178.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 16.0 tt -56.49 -49.44 77.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.195 1.398 . . . . 0.0 112.437 -179.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -63.91 -37.57 87.89 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 118.992 0.815 . . . . 0.0 112.287 178.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -61.24 -51.96 66.74 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.839 1.256 . . . . 0.0 110.703 175.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 85.7 m -57.83 -40.86 81.06 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.748 0.819 . . . . 0.0 111.206 176.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 42.2 mt -60.99 -31.3 49.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 O-C-N 121.292 -0.88 . . . . 0.0 112.525 177.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -63.56 -44.72 93.3 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 120.49 1.495 . . . . 0.0 110.084 174.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 34.8 m -63.53 -35.93 82.12 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.412 1.085 . . . . 0.0 111.881 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 57.7 tp -61.62 -44.84 96.25 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.902 1.281 . . . . 0.0 111.051 176.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 59.0 t -59.66 -50.57 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-O 118.454 -0.784 . . . . 0.0 109.454 175.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 38.3 t60 -53.48 -57.0 12.27 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.316 0.962 . . . . 0.0 111.032 177.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -55.38 -36.11 66.01 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 8.9 p -73.54 -15.8 61.29 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -114.4 -13.74 12.24 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.067 1.347 . . . . 0.0 114.229 178.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 12.5 t -64.04 113.45 3.51 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.472 1.509 . . . . 0.0 111.554 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -3.01 19.76 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 116.32 1.97 . . . . 0.0 116.32 -176.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 30.5 t30 -137.13 111.04 8.21 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.835 1.198 . . . . 0.0 112.055 -178.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.39 -15.05 14.38 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 178.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -91.98 6.54 45.93 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 126.294 1.838 . . . . 0.0 113.503 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 53.7 t -45.39 130.34 8.4 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 127.144 2.178 . . . . 0.0 112.179 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 14.8 m -66.78 -6.08 14.6 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 116.388 1.996 . . . . 0.0 116.388 -174.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 15.7 tp -78.38 124.04 85.65 Favored Pre-proline 0 CA--C 1.55 0.968 0 CA-C-N 120.308 1.413 . . . . 0.0 111.651 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -50.61 -42.59 49.2 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 123.478 2.785 . . . . 0.0 114.911 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 49.9 m -72.16 -37.24 69.4 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -178.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 38.5 t -59.2 -51.48 69.83 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.585 1.154 . . . . 0.0 108.977 175.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -50.3 -49.23 54.22 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.414 1.486 . . . . 0.0 112.051 175.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 83.2 mttt -60.74 -50.09 74.86 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.948 1.299 . . . . 0.0 111.621 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -40.82 81.82 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.096 0.958 . . . . 0.0 112.494 176.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -53.56 -39.96 65.18 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.909 0.884 . . . . 0.0 112.316 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -60.8 -56.31 22.68 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 119.261 0.937 . . . . 0.0 112.002 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 26.9 m -66.46 -36.75 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 3.0 p -67.83 -40.01 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 119.966 1.257 . . . . 0.0 110.939 177.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -63.05 -29.89 71.17 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.637 0.775 . . . . 0.0 111.595 174.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.7 t60 -67.43 -67.59 0.45 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.54 0.736 . . . . 0.0 109.596 174.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 6.2 t -55.75 -33.93 64.75 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 115.016 1.488 . . . . 0.0 115.016 -174.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.83 -15.79 62.67 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 178.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -125.17 -9.04 5.28 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 125.284 1.421 . . . . 0.0 116.178 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 52.4 t -56.88 137.07 55.65 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.654 1.582 . . . . 0.0 112.048 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -91.09 -1.08 57.83 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.932 1.693 . . . . 0.0 113.002 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -115.16 -58.97 2.07 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.182 1.793 . . . . 0.0 111.959 -179.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 46.9 mtpt 53.8 -176.55 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.493 2.317 . . . . 0.0 114.213 -177.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 20.0 p -54.67 -40.55 69.21 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.014 1.325 . . . . 0.0 113.166 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -62.2 -21.05 64.81 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.247 1.019 . . . . 0.0 113.582 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -105.3 -2.99 41.42 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 125.989 1.757 . . . . 0.0 113.57 176.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 94.82 10.46 57.67 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.773 1.654 . . . . 0.0 116.061 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 14.0 t -59.28 120.9 52.0 Favored Pre-proline 0 CA--C 1.551 1.015 0 CA-C-N 119.421 1.61 . . . . 0.0 111.935 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -69.01 -40.48 6.43 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.815 2.343 . . . . 0.0 114.206 -177.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 61.2 t -58.06 -56.31 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 119.808 1.186 . . . . 0.0 111.361 -178.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 37.0 m -52.07 -45.6 64.84 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.378 1.471 . . . . 0.0 111.149 178.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.43 -49.35 77.61 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.101 1.36 . . . . 0.0 110.931 176.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -60.43 -39.66 88.25 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.089 0.859 . . . . 0.0 112.144 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.85 -50.06 70.32 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-O 121.414 0.626 . . . . 0.0 110.286 176.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 62.3 mt -61.34 -29.98 47.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 125.207 1.403 . . . . 0.0 112.283 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -57.43 -47.16 82.51 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 120.029 1.286 . . . . 0.0 111.244 175.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 9.1 mp -67.62 -40.98 84.67 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.976 0.91 . . . . 0.0 110.93 175.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 74.6 m -58.79 -40.91 85.41 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 122.818 0.447 . . . . 0.0 110.989 175.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 44.6 t -64.71 -50.78 65.61 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.3 1.44 . . . . 0.0 111.212 176.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 47.2 t80 -56.39 -42.4 77.87 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.702 0.801 . . . . 0.0 111.257 176.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 41.7 t60 -61.65 -58.71 7.01 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.248 1.019 . . . . 0.0 110.192 174.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -53.17 -32.13 46.17 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.181 1.792 . . . . 0.0 114.827 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -56.5 -47.49 79.17 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.792 1.637 . . . . 0.0 110.922 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -90.12 -25.19 20.84 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.448 1.499 . . . . 0.0 114.385 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 17.8 t -66.07 161.81 20.88 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.963 1.305 . . . . 0.0 113.526 -179.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.59 -0.03 0.56 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 127.199 2.2 . . . . 0.0 114.504 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -68.11 114.33 6.53 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.747 -1.221 . . . . 0.0 111.087 178.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 31.5 t30 -62.99 -17.93 62.71 Favored 'General case' 0 CA--C 1.551 1.015 0 O-C-N 120.594 -1.316 . . . . 0.0 113.754 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 96.7 mttt -131.52 32.97 4.1 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 127.176 2.19 . . . . 0.0 113.05 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 5.7 t -45.75 135.33 6.28 Favored Pre-proline 0 CA--C 1.554 1.126 0 C-N-CA 126.365 1.866 . . . . 0.0 112.451 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -64.02 -23.78 67.37 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 122.693 2.262 . . . . 0.0 114.327 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1841 ' ' VAL . . . . . 0.412 HG12 ' H ' ' A' 1844 ' ' CYS . 87.4 t -71.3 120.36 79.2 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 124.787 1.235 . . . . 0.0 109.183 176.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -65.65 -41.87 13.71 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.817 2.344 . . . . 0.0 114.089 -176.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -71.42 -30.0 65.55 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 179.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1844 ' ' CYS . . . . . 0.412 ' H ' HG12 ' A' 1841 ' ' VAL . 38.3 t -49.87 -65.89 0.49 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.109 1.364 . . . . 0.0 110.949 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 69.4 mt -51.21 -40.66 59.23 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.506 1.522 . . . . 0.0 113.734 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -62.35 -50.01 73.29 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.187 0.595 . . . . 0.0 109.953 176.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 8.3 mm -59.87 -47.01 93.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-O 118.77 -0.633 . . . . 0.0 110.425 175.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -53.58 -45.84 70.11 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.789 1.177 . . . . 0.0 111.073 177.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 55.2 t60 -57.34 -51.57 68.84 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.677 0.791 . . . . 0.0 110.669 176.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 14.2 mptt -54.63 -47.39 73.54 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.414 1.086 . . . . 0.0 111.502 175.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 5.8 mp -61.77 -50.32 72.85 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.371 1.869 . . . . 0.0 113.412 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? . . . . . 0 N--CA 1.476 0.851 0 CA-C-N 118.803 0.729 . . . . 0.0 112.716 179.478 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 CA--C 1.545 0.759 0 CA-C-O 120.938 0.399 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -152.62 133.03 7.53 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 126.158 1.783 . . . . 0.0 109.54 175.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -65.91 -15.61 49.53 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 122.775 2.317 . . . . 0.0 115.342 -177.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -95.13 -12.07 27.1 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.671 1.189 . . . . 0.0 112.977 178.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -59.48 -30.53 68.61 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -174.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.36 -38.18 90.14 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.549 1.14 . . . . 0.0 111.307 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.4 -50.88 23.26 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.427 1.091 . . . . 0.0 110.271 176.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 59.4 t -55.37 -42.99 69.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 123.674 0.79 . . . . 0.0 111.815 178.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 70.9 m -53.76 -39.48 65.41 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -73.36 -17.71 61.25 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.698 1.135 . . . . 0.0 113.124 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 7.5 mt -90.05 -57.36 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.59 1.156 . . . . 0.0 109.212 175.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -151.88 101.32 2.86 Favored Pre-proline 0 CA--C 1.551 1.019 0 C-N-CA 126.828 2.051 . . . . 0.0 111.45 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -74.36 175.14 11.39 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 122.846 2.364 . . . . 0.0 111.109 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -75.1 -18.3 60.29 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.634 -1.291 . . . . 0.0 113.128 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 25.5 p -74.11 -51.07 16.79 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.19 1.796 . . . . 0.0 113.781 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 32.8 m -139.82 157.06 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.68 1.592 . . . . 0.0 112.817 -178.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 42.8 ttm -82.12 62.07 5.69 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.579 1.152 . . . . 0.0 110.502 176.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 65.5 tp -47.57 -29.99 3.27 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.264 2.226 . . . . 0.0 114.326 -177.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.85 -19.55 18.1 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.51 1.124 . . . . 0.0 113.968 176.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.7 p -72.15 -20.02 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.054 0.942 . . . . 0.0 112.803 176.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -126.1 -18.48 5.01 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -178.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -120.53 111.24 17.43 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.581 1.552 . . . . 0.0 110.612 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.0 163.32 31.75 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.291 0.948 . . . . 0.0 114.375 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 38.4 mt -101.8 105.64 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 127.078 2.151 . . . . 0.0 108.28 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -75.01 65.4 1.44 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.464 1.106 . . . . 0.0 113.175 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 38.7 tp . . . . . 0 CA--C 1.552 1.05 0 C-N-CA 127.74 2.416 . . . . 0.0 113.811 177.481 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1770 ' ' ARG . . . . . 0.463 ' NH1' HE22 ' A' 1774 ' ' GLN . 44.4 ttp85 . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.73 -43.23 84.76 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.323 0.649 . . . . 0.0 111.043 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 69.4 m -59.52 -45.99 90.16 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.499 0.72 . . . . 0.0 111.44 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 62.7 mt -54.28 -63.68 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 126.218 1.807 . . . . 0.0 110.282 177.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . 0.463 HE22 ' NH1' ' A' 1770 ' ' ARG . 5.5 pt20 -60.61 -35.65 76.67 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -177.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 83.5 mmt-85 -64.94 -53.66 42.93 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.112 0.869 . . . . 0.0 110.538 175.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 33.5 t -61.05 -27.99 68.74 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.559 0.743 . . . . 0.0 112.567 177.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 32.6 mt -65.31 -28.54 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 O-C-N 120.493 -1.38 . . . . 0.0 111.442 175.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -63.54 -44.38 94.38 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.651 -1.28 . . . . 0.0 109.539 174.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 1.5 m -59.88 -42.1 93.01 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.476 1.91 . . . . 0.0 110.79 175.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 5.9 tt -58.58 -56.0 27.74 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.662 1.985 . . . . 0.0 110.429 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 99.2 t -55.58 -51.53 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.718 0.807 . . . . 0.0 110.567 177.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 35.5 t60 -53.07 -56.29 17.32 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.43 0.692 . . . . 0.0 111.434 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -55.67 -31.66 62.57 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 95.6 m -75.54 -14.29 60.4 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 177.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -118.34 -14.8 9.76 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.986 1.314 . . . . 0.0 114.163 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 9.6 t -66.68 121.46 15.45 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.141 1.376 . . . . 0.0 111.663 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -75.3 -8.54 56.91 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.325 1.85 . . . . 0.0 115.462 -177.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 30.3 t30 -137.34 114.25 10.59 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.886 1.221 . . . . 0.0 113.28 -176.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.79 -16.23 26.5 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -91.23 9.02 33.0 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.269 1.828 . . . . 0.0 113.335 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 47.4 t -47.92 138.54 8.77 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.105 2.162 . . . . 0.0 111.714 178.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 81.0 p -72.93 -10.35 59.7 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 115.494 1.665 . . . . 0.0 115.494 -177.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 26.9 tp -74.09 120.24 80.34 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-N 121.016 1.734 . . . . 0.0 112.339 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -49.82 -42.08 45.1 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 123.393 2.729 . . . . 0.0 113.778 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.6 -49.18 78.43 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.307 1.043 . . . . 0.0 112.208 177.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 38.0 t -58.34 -55.24 37.51 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.793 1.637 . . . . 0.0 109.921 177.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -48.89 -55.46 11.69 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.449 1.5 . . . . 0.0 112.799 178.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 89.0 mttt -59.1 -50.35 74.41 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.749 1.22 . . . . 0.0 111.808 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 53.3 tpp -60.0 -42.58 94.56 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.194 1.397 . . . . 0.0 113.245 179.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -49.04 -44.18 41.33 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.049 1.34 . . . . 0.0 113.152 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -57.16 -47.95 79.92 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.72 0.808 . . . . 0.0 111.845 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 5.1 t -69.49 -40.31 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.387 1.075 . . . . 0.0 111.74 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 54.1 t -59.49 -44.97 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.046 0.939 . . . . 0.0 109.947 175.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -66.47 -29.65 69.81 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.229 1.011 . . . . 0.0 112.281 176.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 10.6 t60 -71.56 -62.36 1.44 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.92 0.888 . . . . 0.0 110.669 176.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 5.3 t -54.75 -33.85 61.74 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -175.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -71.62 -10.04 59.16 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 178.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -137.58 1.62 2.96 Favored Glycine 0 CA--C 1.538 1.498 0 N-CA-C 117.046 1.578 . . . . 0.0 117.046 -177.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 46.2 t -58.78 141.58 52.61 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.356 1.578 . . . . 0.0 113.091 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -82.25 -8.45 59.64 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.296 1.839 . . . . 0.0 112.775 179.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 72.2 mtt-85 -117.82 -57.09 2.14 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.623 1.969 . . . . 0.0 112.138 178.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1812 ' ' LYS . . . . . 0.411 ' HA ' ' SG ' ' A' 1820 ' ' CYS 0.354 53.7 pttt 52.78 -168.56 0.05 OUTLIER 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.976 2.11 . . . . 0.0 112.719 -169.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 60.0 p -49.55 -52.95 26.35 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.097 1.359 . . . . 0.0 113.843 -177.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -66.95 -18.31 65.32 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -94.01 2.46 69.08 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 125.583 1.563 . . . . 0.0 113.516 177.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 85.15 6.94 84.0 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 125.657 1.599 . . . . 0.0 115.841 178.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 45.2 t -66.55 118.74 56.94 Favored Pre-proline 0 CA--C 1.555 1.162 0 CA-C-N 119.117 1.458 . . . . 0.0 111.088 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.58 -32.66 14.8 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.878 2.386 . . . . 0.0 113.666 -177.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 47.2 t -54.13 -60.13 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.057 1.343 . . . . 0.0 110.273 179.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1820 ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' 1812 ' ' LYS . 36.4 m -56.22 -45.52 79.89 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.538 1.535 . . . . 0.0 110.891 177.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -45.26 71.11 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 117.466 -1.254 . . . . 0.0 112.913 178.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -58.79 -55.14 38.9 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 120.568 1.531 . . . . 0.0 111.974 177.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 15.9 tp -62.34 -48.25 80.62 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.004 0.922 . . . . 0.0 112.015 -179.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 45.9 mm -64.11 -36.19 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 O-C-N 121.066 -1.021 . . . . 0.0 111.488 177.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -59.91 -47.06 87.32 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 120.48 1.491 . . . . 0.0 111.309 175.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 7.3 mp -62.27 -40.67 97.01 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.344 0.657 . . . . 0.0 110.664 175.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 24.4 t -60.61 -40.26 91.2 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.687 -0.633 . . . . 0.0 111.159 174.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 96.3 m -62.46 -46.9 86.42 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.242 -0.911 . . . . 0.0 110.977 175.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 36.6 t80 -58.89 -42.31 89.23 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.53 0.732 . . . . 0.0 111.171 176.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 36.2 t60 -60.19 -59.85 4.76 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.147 0.979 . . . . 0.0 110.052 175.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -53.32 -33.46 53.48 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.058 1.743 . . . . 0.0 114.462 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -56.23 -46.58 79.5 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.84 1.656 . . . . 0.0 111.167 177.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 43.0 m80 -90.23 -24.53 20.95 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.443 1.897 . . . . 0.0 114.413 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1834 ' ' CYS . . . . . 0.455 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 8.9 t -63.98 160.41 17.91 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.441 1.496 . . . . 0.0 113.256 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -148.16 -4.19 0.48 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.812 1.645 . . . . 0.0 115.199 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -75.17 116.74 16.23 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.778 -1.201 . . . . 0.0 111.403 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 39.7 t30 -61.32 -17.16 52.42 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 -178.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -133.8 40.0 3.12 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 127.045 2.138 . . . . 0.0 112.633 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 19.2 t -51.93 137.06 36.45 Favored Pre-proline 0 CA--C 1.558 1.264 0 C-N-CA 126.062 1.745 . . . . 0.0 111.701 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -64.51 -21.72 65.81 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.468 2.779 . . . . 0.0 114.942 -177.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 98.9 t -69.82 122.63 86.57 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 124.331 1.052 . . . . 0.0 108.938 177.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -64.58 -45.75 8.38 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.856 2.37 . . . . 0.0 114.551 -175.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -74.3 -25.52 59.63 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.917 1.081 . . . . 0.0 113.917 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 49.4 t -46.26 -64.7 0.69 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.501 1.92 . . . . 0.0 112.183 -178.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 60.0 mt -53.93 -36.86 63.23 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.258 1.423 . . . . 0.0 113.396 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 53.9 t30 -65.04 -46.61 80.55 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.645 0.657 . . . . 0.0 110.296 175.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 10.2 mm -58.13 -48.12 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-O 118.798 -0.62 . . . . 0.0 110.076 176.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1848 ' ' LYS . . . . . 0.455 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 69.9 mttt -52.58 -48.24 66.34 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.465 1.029 . . . . 0.0 111.237 176.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 58.0 t60 -58.03 -48.28 80.56 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.095 0.958 . . . . 0.0 111.553 178.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 10.3 mptt -57.56 -48.12 80.21 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.704 1.602 . . . . 0.0 111.019 175.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 5.3 mp -56.35 -45.22 80.53 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.712 1.605 . . . . 0.0 111.746 176.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? . . . . . 0 N--CA 1.478 0.939 0 C-N-CA 123.888 0.875 . . . . 0.0 113.274 178.182 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 . . . . . 0 CA--C 1.544 0.727 0 CA-C-O 121.065 0.46 . . . . 0.0 111.64 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -155.48 150.23 20.37 Favored Pre-proline 0 CA--C 1.544 0.747 0 C-N-CA 126.628 1.971 . . . . 0.0 110.004 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -72.46 -13.38 27.68 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 122.372 2.048 . . . . 0.0 114.509 -176.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -83.01 -28.07 29.92 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -59.56 -29.21 67.77 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.406 1.082 . . . . 0.0 112.969 -177.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -62.37 -42.03 99.09 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.208 1.803 . . . . 0.0 110.84 176.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.13 -47.37 44.73 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.44 1.096 . . . . 0.0 110.526 174.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 83.5 t -52.94 -47.58 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.257 1.023 . . . . 0.0 110.997 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 69.0 m -50.62 -43.12 56.78 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.62 1.568 . . . . 0.0 114.968 -178.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -75.24 -13.66 60.46 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 14.1 mt -90.14 -52.67 10.27 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 C-N-CA 125.44 1.496 . . . . 0.0 108.338 173.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -158.03 110.21 1.75 Allowed Pre-proline 0 CA--C 1.554 1.106 0 C-N-CA 129.352 3.061 . . . . 0.0 112.709 176.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -79.78 175.76 10.19 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 123.12 2.547 . . . . 0.0 111.335 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -77.9 -27.25 49.53 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 120.864 -1.148 . . . . 0.0 113.002 178.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 17.6 m -66.56 -42.12 87.56 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.508 1.523 . . . . 0.0 114.698 -177.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 27.9 m -145.16 155.29 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.391 1.476 . . . . 0.0 112.273 -178.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 91.1 mmm -80.29 65.13 5.34 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.084 0.954 . . . . 0.0 110.821 175.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 42.2 tp -53.04 -25.55 12.88 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.718 1.607 . . . . 0.0 112.109 177.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.37 -30.09 17.69 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.486 1.914 . . . . 0.0 114.247 176.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 2.5 p -73.97 -8.89 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -133.53 12.83 4.12 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.182 1.793 . . . . 0.0 113.977 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -135.98 159.69 40.91 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.354 1.462 . . . . 0.0 112.142 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -142.18 171.56 24.54 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.638 1.589 . . . . 0.0 113.312 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 29.9 mm -118.95 127.93 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 126.024 1.73 . . . . 0.0 112.046 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -76.96 65.56 2.65 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.595 1.958 . . . . 0.0 110.857 175.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 62.0 tp . . . . . 0 N--CA 1.473 0.681 0 C-N-CA 125.631 1.572 . . . . 0.0 112.58 178.832 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 . . . . . 0 N--CA 1.478 0.969 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 41.2 mt -75.83 -43.48 45.78 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.341 1.056 . . . . 0.0 110.4 174.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 59.5 m -62.85 -47.02 85.2 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.233 -0.917 . . . . 0.0 112.725 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 19.6 tt -57.32 -51.36 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 O-C-N 121.135 -0.978 . . . . 0.0 111.572 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -64.55 -33.1 75.11 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.078 0.853 . . . . 0.0 112.868 178.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -66.08 -51.23 60.03 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.17 0.988 . . . . 0.0 110.82 175.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 37.1 t -57.24 -37.0 71.63 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 119.032 0.833 . . . . 0.0 111.145 175.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 35.4 mt -60.86 -27.35 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 C-N-CA 124.334 1.054 . . . . 0.0 112.629 175.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -65.2 -45.79 83.34 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.506 1.503 . . . . 0.0 109.826 173.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 16.4 m -58.69 -40.35 83.37 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.065 1.346 . . . . 0.0 111.115 174.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 62.3 tp -59.52 -53.21 60.71 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.97 1.308 . . . . 0.0 110.669 175.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 83.0 t -55.67 -50.79 65.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.652 177.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 36.3 t60 -52.63 -57.71 9.17 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.986 0.812 . . . . 0.0 111.126 178.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.66 -28.53 63.84 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 85.4 m -77.66 -16.29 58.62 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 176.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -114.49 -16.42 11.91 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 10.2 t -64.16 130.06 42.43 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.979 1.712 . . . . 0.0 111.926 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.94 -10.68 59.8 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.744 1.618 . . . . 0.0 115.123 -177.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 33.4 t30 -136.77 113.51 10.29 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.434 1.094 . . . . 0.0 113.324 -175.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -57.68 -17.31 14.21 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 177.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -87.52 -1.15 57.74 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.438 1.495 . . . . 0.0 113.917 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 52.3 t -46.85 113.06 0.59 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 127.191 2.196 . . . . 0.0 111.378 178.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 91.9 p -67.34 -3.36 7.94 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 116.705 2.113 . . . . 0.0 116.705 -173.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 19.1 tp -61.71 122.32 70.56 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.306 1.443 . . . . 0.0 110.369 178.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -47.92 -40.86 32.94 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.534 2.823 . . . . 0.0 114.681 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 23.6 m -59.11 -53.21 60.88 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.161 1.385 . . . . 0.0 111.839 176.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 5.4 t -61.21 -53.68 53.87 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.286 1.834 . . . . 0.0 110.344 178.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -44.91 -60.4 2.07 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.4 1.88 . . . . 0.0 112.109 176.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 89.2 mttt -57.43 -56.74 18.0 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.1 0.96 . . . . 0.0 111.272 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 45.5 tpp -56.16 -39.11 71.81 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.677 1.191 . . . . 0.0 113.953 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -53.38 -41.12 65.57 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.055 -1.028 . . . . 0.0 113.02 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -56.93 -51.76 67.89 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 119.338 0.972 . . . . 0.0 111.971 178.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 30.5 m -71.72 -32.23 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 24.3 t -62.22 -46.79 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 O-C-N 121.19 -0.944 . . . . 0.0 109.838 174.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -62.98 -25.61 68.45 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.243 1.017 . . . . 0.0 112.366 175.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 13.2 t60 -71.67 -64.69 0.88 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.919 0.888 . . . . 0.0 110.765 175.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 14.9 t -54.06 -35.34 61.93 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -175.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -70.93 -11.65 61.09 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.911 1.448 . . . . 0.0 114.911 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -128.22 -10.49 3.39 Favored Glycine 0 CA--C 1.541 1.667 0 C-N-CA 125.277 1.418 . . . . 0.0 116.337 -178.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 45.9 t -57.69 131.82 51.4 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 119.189 1.494 . . . . 0.0 112.102 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -81.61 -6.5 59.06 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.034 1.734 . . . . 0.0 114.823 -176.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -127.66 -36.8 2.02 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 28.8 mtmm 48.93 -159.85 0.05 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.69 1.996 . . . . 0.0 113.699 -178.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 37.7 p -58.22 -30.06 66.2 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.889 1.275 . . . . 0.0 112.69 176.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 35.4 t30 -59.2 -41.49 88.67 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.816 1.246 . . . . 0.0 111.613 176.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -90.02 -2.53 74.55 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 125.524 1.535 . . . . 0.0 113.813 175.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 88.12 19.0 54.7 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 125.802 1.668 . . . . 0.0 116.094 177.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 8.0 t -57.36 114.47 8.29 Favored Pre-proline 0 CA--C 1.554 1.109 0 CA-C-N 119.109 1.454 . . . . 0.0 113.161 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.83 -41.95 72.13 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 124.0 3.133 . . . . 0.0 114.701 -178.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 31.8 t -58.5 -54.63 30.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 124.115 0.966 . . . . 0.0 110.45 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 34.0 m -59.01 -45.77 89.85 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.431 1.492 . . . . 0.0 110.405 177.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1821 ' ' LYS . . . . . 0.426 ' O ' ' HE2' ' A' 1821 ' ' LYS . 0.0 OUTLIER -54.63 -47.67 73.18 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.394 1.078 . . . . 0.0 110.597 176.39 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -54.74 -49.2 71.39 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.051 0.841 . . . . 0.0 111.472 176.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1823 ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' 1823 ' ' LEU . 28.5 mt -64.39 -43.44 94.46 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 119.162 -0.447 . . . . 0.0 111.887 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 27.4 mm -66.1 -35.2 74.46 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 119.072 0.851 . . . . 0.0 111.291 175.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -61.3 -54.31 45.52 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.682 1.193 . . . . 0.0 111.256 176.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 8.6 mp -64.26 -38.36 90.78 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.25 0.62 . . . . 0.0 111.034 177.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 42.8 t -60.68 -44.6 96.29 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.603 -0.686 . . . . 0.0 111.072 174.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 42.1 t -58.37 -51.23 70.67 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.211 1.004 . . . . 0.0 110.554 176.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 29.8 t80 -56.31 -45.61 80.19 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.528 0.731 . . . . 0.0 111.4 176.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 42.6 t60 -58.66 -60.02 4.48 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.876 0.87 . . . . 0.0 110.556 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -55.58 -30.24 60.5 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.172 1.789 . . . . 0.0 114.589 -178.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -57.37 -45.36 84.52 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.578 1.551 . . . . 0.0 110.764 176.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 43.7 m80 -89.87 -29.74 18.37 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.649 1.98 . . . . 0.0 114.371 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 26.8 t -64.18 155.55 31.37 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.601 1.561 . . . . 0.0 113.721 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -143.56 1.48 1.19 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 127.397 2.279 . . . . 0.0 113.497 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.49 122.34 19.49 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 120.389 -1.444 . . . . 0.0 111.366 -178.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 33.6 t30 -64.64 -25.64 68.04 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -129.73 35.08 4.22 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.347 2.259 . . . . 0.0 112.243 -178.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 7.2 t -45.43 131.99 6.1 Favored Pre-proline 0 CA--C 1.555 1.143 0 C-N-CA 126.367 1.867 . . . . 0.0 112.787 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -64.39 -23.19 65.44 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.285 2.657 . . . . 0.0 115.102 -177.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 88.6 t -66.54 115.89 28.8 Favored Pre-proline 0 N--CA 1.476 0.873 0 C-N-CA 124.853 1.261 . . . . 0.0 109.615 177.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -48.2 -52.27 8.62 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 124.351 3.367 . . . . 0.0 116.383 -176.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -80.74 -20.07 43.58 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -177.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 42.0 t -48.0 -63.09 1.16 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.419 1.487 . . . . 0.0 112.46 -177.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 58.2 mt -54.57 -36.02 63.92 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.325 1.05 . . . . 0.0 113.465 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 54.3 t30 -64.53 -46.73 81.6 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.869 0.759 . . . . 0.0 109.987 175.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 8.5 mm -59.25 -50.03 81.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 175.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -54.21 -44.37 71.57 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 119.284 0.947 . . . . 0.0 111.599 177.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 59.6 t60 -60.41 -48.48 81.56 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.031 0.932 . . . . 0.0 111.323 177.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 9.4 mptt -57.56 -46.26 84.17 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.785 1.634 . . . . 0.0 111.14 175.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 6.5 mp -58.93 -40.43 84.55 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.156 1.382 . . . . 0.0 112.076 176.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 54.0 mmm-85 . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 176.742 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 110.218 -0.289 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -145.25 117.86 5.31 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 125.101 1.36 . . . . 0.0 109.432 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -49.68 -30.86 23.5 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 123.734 2.956 . . . . 0.0 115.988 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -72.68 -20.47 61.23 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.49 1.116 . . . . 0.0 113.519 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -58.7 -33.84 70.62 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -175.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.25 -35.56 79.32 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.549 1.139 . . . . 0.0 111.437 178.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.23 -19.86 59.54 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.996 0.919 . . . . 0.0 112.811 176.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 17.0 t -79.06 -50.48 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 123.64 0.776 . . . . 0.0 109.117 175.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 72.9 m -47.26 -45.85 24.12 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.071 1.748 . . . . 0.0 115.601 -178.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -61.27 -25.39 67.06 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 7.1 mt -90.13 -53.9 8.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 C-N-CA 126.456 1.902 . . . . 0.0 108.505 177.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -157.41 114.11 1.89 Allowed Pre-proline 0 CA--C 1.554 1.114 0 C-N-CA 127.058 2.143 . . . . 0.0 111.772 177.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -77.24 175.83 10.86 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 123.104 2.536 . . . . 0.0 112.167 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -75.13 -20.5 59.37 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.968 -1.083 . . . . 0.0 113.062 178.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 31.4 p -71.1 -46.91 60.82 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.015 1.726 . . . . 0.0 113.92 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 33.5 m -139.74 149.83 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.519 1.528 . . . . 0.0 112.106 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 83.5 mtp -79.85 65.2 4.94 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.89 0.876 . . . . 0.0 111.077 176.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 10.6 tp -57.06 -17.01 8.57 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.429 1.492 . . . . 0.0 112.888 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.75 -29.31 11.12 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.803 2.041 . . . . 0.0 113.447 174.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 4.1 p -73.99 -8.73 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.005 1.322 . . . . 0.0 113.652 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -134.6 -25.37 1.48 Allowed 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -74.79 156.7 36.25 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.494 1.117 . . . . 0.0 112.522 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -124.23 155.88 18.19 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.997 1.761 . . . . 0.0 112.471 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 53.2 mt -128.33 121.81 56.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.26 1.424 . . . . 0.0 110.764 -176.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -80.86 65.57 6.05 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.572 1.549 . . . . 0.0 111.55 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.479 0.987 0 C-N-CA 127.124 2.17 . . . . 0.0 112.613 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 43.8 ttm105 . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.7 mp -67.94 -46.6 71.03 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.055 1.342 . . . . 0.0 110.939 176.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 74.0 m -58.06 -46.42 85.44 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.507 0.723 . . . . 0.0 111.412 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 34.3 mt -56.03 -61.23 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 126.672 1.989 . . . . 0.0 110.477 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -60.97 -38.33 85.57 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -177.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 19.3 mmt85 -61.49 -52.18 65.58 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.974 0.909 . . . . 0.0 110.15 175.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 37.3 t -55.9 -41.15 74.06 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.639 0.775 . . . . 0.0 111.068 175.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 53.6 mt -62.01 -32.77 55.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 O-C-N 121.134 -0.979 . . . . 0.0 112.823 176.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -62.32 -44.27 96.9 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.766 1.621 . . . . 0.0 110.076 174.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 22.0 m -63.38 -39.18 93.83 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.019 1.328 . . . . 0.0 111.796 176.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.27 -51.69 68.47 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.518 1.527 . . . . 0.0 110.072 176.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 80.9 t -56.42 -50.06 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.133 176.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 19.2 t60 -51.5 -59.41 4.28 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.951 0.796 . . . . 0.0 110.731 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.27 -26.44 60.82 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 91.6 m -81.9 -13.54 57.41 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 176.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -120.04 -13.93 8.94 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 14.7 t -58.25 123.97 17.86 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.202 1.801 . . . . 0.0 111.661 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -73.82 -7.06 50.74 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.767 2.027 . . . . 0.0 116.366 -176.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 27.3 t30 -140.23 114.99 9.53 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.598 1.159 . . . . 0.0 112.465 -176.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.95 -15.07 19.08 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 177.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -95.45 10.15 37.48 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 126.678 1.991 . . . . 0.0 113.672 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 46.5 t -44.52 137.37 3.78 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 127.369 2.267 . . . . 0.0 113.899 -178.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 20.2 m -78.82 -9.77 59.57 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.544 1.537 . . . . 0.0 114.928 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 1.7 tm? -70.55 115.67 37.56 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 126.063 1.745 . . . . 0.0 109.721 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -48.69 -41.31 38.12 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.505 2.804 . . . . 0.0 115.04 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 2.4 m -68.49 -35.9 78.16 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.399 0.68 . . . . 0.0 112.753 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 26.0 t -63.63 -51.22 66.17 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.133 1.373 . . . . 0.0 108.421 175.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -53.01 -48.82 67.25 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.948 1.299 . . . . 0.0 111.509 175.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 87.5 mttt -57.12 -51.4 69.46 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.863 1.265 . . . . 0.0 111.27 175.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -41.93 75.35 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.063 0.945 . . . . 0.0 112.741 177.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -52.45 -30.78 31.39 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 117.639 -1.172 . . . . 0.0 113.469 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -63.51 -59.74 4.26 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 119.994 1.27 . . . . 0.0 111.17 175.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 35.9 m -65.01 -32.95 60.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 53.6 t -62.85 -46.98 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.113 0.965 . . . . 0.0 109.611 174.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.06 -30.17 70.8 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.593 1.157 . . . . 0.0 111.87 175.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 9.4 t60 -71.28 -65.65 0.72 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.059 0.944 . . . . 0.0 111.082 177.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 7.3 t -54.75 -33.64 61.5 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -175.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -70.13 -11.96 61.26 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 177.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -135.61 -0.13 3.32 Favored Glycine 0 CA--C 1.538 1.476 0 N-CA-C 116.862 1.505 . . . . 0.0 116.862 -177.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 44.2 t -57.28 130.05 44.49 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.564 1.682 . . . . 0.0 112.717 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -74.91 -10.44 59.5 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.872 1.669 . . . . 0.0 114.339 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -130.3 -33.04 1.73 Allowed 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -178.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1812 ' ' LYS . . . . . 0.401 ' HG2' ' H ' ' A' 1813 ' ' THR . 21.6 tttp 51.9 -161.74 0.09 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.361 1.864 . . . . 0.0 113.123 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . 0.401 ' H ' ' HG2' ' A' 1812 ' ' LYS . 17.6 p -60.44 -28.4 68.27 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.494 -1.379 . . . . 0.0 112.452 175.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 33.9 t30 -58.59 -42.69 88.65 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.963 1.305 . . . . 0.0 111.623 176.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -89.22 -3.71 75.35 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 125.178 1.37 . . . . 0.0 114.028 176.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 88.26 22.15 42.3 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 125.532 1.539 . . . . 0.0 115.907 177.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 8.0 t -57.77 122.88 60.08 Favored Pre-proline 0 CA--C 1.554 1.12 0 CA-C-N 118.799 1.299 . . . . 0.0 112.947 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.69 -44.11 48.44 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 123.257 2.638 . . . . 0.0 114.491 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 11.8 t -60.58 -56.13 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 123.852 0.861 . . . . 0.0 110.761 -177.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 17.4 m -53.81 -49.77 67.62 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 126.178 1.791 . . . . 0.0 110.018 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.81 -48.73 77.3 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 118.894 0.77 . . . . 0.0 111.429 176.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -59.83 -44.07 94.23 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.858 0.863 . . . . 0.0 112.232 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1823 ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' 1823 ' ' LEU . 7.7 mt -62.44 -54.05 45.87 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.723 0.692 . . . . 0.0 110.479 175.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 36.3 mm -55.71 -38.79 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 124.033 0.933 . . . . 0.0 111.818 178.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -57.71 -52.77 64.07 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.757 1.162 . . . . 0.0 111.334 176.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.75 -45.44 89.83 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.831 1.252 . . . . 0.0 111.55 177.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 99.2 m -58.44 -39.35 79.59 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.897 0.771 . . . . 0.0 111.216 174.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 49.8 t -67.46 -48.04 68.38 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.406 1.083 . . . . 0.0 111.297 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 5.7 t80 -58.19 -40.46 81.6 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.402 0.546 . . . . 0.0 110.749 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 39.9 t60 -61.26 -58.59 7.68 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.061 0.944 . . . . 0.0 110.078 173.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -52.5 -33.71 46.24 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.815 1.646 . . . . 0.0 114.297 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -54.6 -48.76 71.78 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.357 1.863 . . . . 0.0 111.121 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -90.24 -21.13 22.27 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.875 1.67 . . . . 0.0 114.875 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 6.7 t -63.94 165.02 9.39 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.629 1.171 . . . . 0.0 113.964 -178.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -151.59 -6.65 0.24 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.258 1.823 . . . . 0.0 115.393 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -72.63 122.49 21.5 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.753 -1.217 . . . . 0.0 112.164 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 35.1 t30 -64.74 -17.86 64.52 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -136.28 42.67 2.54 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.947 2.099 . . . . 0.0 112.324 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 10.7 t -53.46 136.46 52.02 Favored Pre-proline 0 CA--C 1.559 1.29 0 C-N-CA 125.438 1.495 . . . . 0.0 111.791 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -64.27 -25.14 64.67 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 123.309 2.673 . . . . 0.0 114.841 -177.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 91.0 t -68.2 118.53 59.98 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 124.392 1.077 . . . . 0.0 108.744 177.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -65.24 -36.14 37.7 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.687 2.258 . . . . 0.0 114.1 -175.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -76.51 -29.34 56.74 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 44.4 t -48.85 -64.97 0.65 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.691 1.596 . . . . 0.0 111.393 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 1.3 mp -50.49 -42.88 55.25 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 126.244 1.818 . . . . 0.0 113.347 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -62.39 -48.78 78.23 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.718 0.807 . . . . 0.0 110.38 177.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 8.3 mm -58.49 -45.16 90.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-O 118.338 -0.839 . . . . 0.0 110.794 175.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 65.3 mttt -51.65 -45.37 63.33 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-N 120.147 1.339 . . . . 0.0 111.62 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 50.7 t60 -59.76 -50.86 72.16 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.403 0.681 . . . . 0.0 110.941 176.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 14.2 mptt -56.34 -42.1 77.15 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.917 0.887 . . . . 0.0 111.759 176.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.6 mp -61.28 -42.54 98.81 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.597 1.559 . . . . 0.0 112.072 176.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 176.884 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 . . . . . 0 CA--C 1.541 0.602 0 CA-C-O 121.135 0.493 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -150.44 133.62 8.63 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 124.526 1.13 . . . . 0.0 110.22 -178.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -65.8 -14.61 45.47 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 122.832 2.355 . . . . 0.0 115.254 -176.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -90.45 -16.98 27.96 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.992 0.917 . . . . 0.0 113.251 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -57.96 -32.15 67.56 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -174.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -64.91 -48.04 75.6 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.996 1.318 . . . . 0.0 111.103 177.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.12 -24.53 67.45 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.307 1.043 . . . . 0.0 113.079 177.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 64.1 t -80.98 -48.61 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.724 1.21 . . . . 0.0 109.783 175.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 12.2 t -46.14 -46.34 17.12 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.72 2.008 . . . . 0.0 114.409 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -62.44 -24.71 67.58 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 178.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 11.3 mt -90.03 -53.08 9.73 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 127.135 2.174 . . . . 0.0 108.524 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -155.08 108.61 2.28 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 127.47 2.308 . . . . 0.0 111.786 176.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -79.21 177.92 8.06 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 122.998 2.465 . . . . 0.0 111.396 177.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -75.22 -30.12 60.48 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -177.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 23.5 m -71.61 -39.92 70.14 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -176.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.9 m -143.49 157.3 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.834 1.254 . . . . 0.0 113.0 -177.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 51.1 ttm -80.46 66.69 6.05 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.388 1.075 . . . . 0.0 110.336 175.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 40.5 tp -58.41 -21.85 52.13 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.65 1.18 . . . . 0.0 112.858 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.37 -40.37 49.31 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.114 1.366 . . . . 0.0 114.188 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 35.0 m -67.17 -8.97 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 CA-C-N 120.642 1.564 . . . . 0.0 113.477 177.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -116.59 3.88 13.15 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 128.099 2.559 . . . . 0.0 112.713 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -130.79 174.44 9.96 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.772 1.629 . . . . 0.0 113.12 -173.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.62 162.99 31.92 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 126.023 1.773 . . . . 0.0 112.295 177.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 66.7 mt -123.08 115.12 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 125.873 1.669 . . . . 0.0 108.785 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -77.99 56.85 1.66 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.341 1.056 . . . . 0.0 112.754 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 10.5 tt . . . . . 0 N--CA 1.476 0.829 0 C-N-CA 124.938 1.295 . . . . 0.0 112.419 179.081 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.5 mp -74.88 -46.39 36.51 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.915 0.886 . . . . 0.0 110.332 175.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 59.0 m -61.67 -47.67 84.26 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.636 0.774 . . . . 0.0 112.657 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 16.6 tt -57.07 -49.96 77.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.744 0.818 . . . . 0.0 111.498 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -66.5 -41.98 88.09 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.063 0.847 . . . . 0.0 112.484 178.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 72.2 mmt-85 -57.07 -46.53 82.43 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.465 1.03 . . . . 0.0 111.572 176.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 42.9 t -61.96 -40.93 97.26 Favored 'General case' 0 CA--C 1.543 0.712 0 O-C-N 122.014 -0.429 . . . . 0.0 110.74 174.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 45.0 mt -60.71 -36.65 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.091 0.956 . . . . 0.0 112.483 176.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -58.01 -45.67 86.52 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 120.693 1.588 . . . . 0.0 109.982 173.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 52.9 m -68.12 -31.13 70.51 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 58.6 tp -62.72 -50.86 69.44 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.332 1.053 . . . . 0.0 109.492 174.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 92.6 t -56.08 -48.48 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 123.7 0.8 . . . . 0.0 109.929 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 28.3 t60 -52.96 -59.66 4.25 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.756 0.822 . . . . 0.0 110.749 176.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -56.25 -31.01 63.16 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 88.9 m -71.87 -16.33 62.14 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 177.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -118.45 -15.58 9.63 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.064 1.346 . . . . 0.0 114.194 177.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 11.9 t -51.41 113.69 1.03 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.503 2.321 . . . . 0.0 112.503 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -69.39 -20.06 63.82 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.752 2.021 . . . . 0.0 115.239 -175.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 34.0 t30 -123.34 110.52 15.27 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.256 1.423 . . . . 0.0 112.429 -176.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -56.95 -17.54 10.04 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 178.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -90.54 -0.01 57.51 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.809 1.644 . . . . 0.0 114.384 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 48.6 t -40.86 108.66 0.09 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 127.256 2.222 . . . . 0.0 112.468 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 79.6 p -71.22 1.48 5.97 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 116.908 2.188 . . . . 0.0 116.908 -173.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 20.9 tp -60.96 123.74 76.7 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 124.857 1.263 . . . . 0.0 108.704 177.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -45.13 -44.65 15.32 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.502 2.802 . . . . 0.0 114.935 -177.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 37.3 m -71.04 -42.18 69.84 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 5.6 t -58.7 -45.83 88.65 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.922 1.289 . . . . 0.0 109.528 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -50.58 -47.39 57.95 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.793 1.237 . . . . 0.0 112.235 175.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -66.51 -51.95 51.16 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 119.344 0.975 . . . . 0.0 111.09 177.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 53.0 tpp -53.7 -41.76 67.29 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 126.283 1.833 . . . . 0.0 113.229 -177.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.72 -47.77 50.36 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.339 1.456 . . . . 0.0 112.865 178.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -60.07 -47.24 86.7 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 118.984 0.811 . . . . 0.0 112.337 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 2.6 t -69.77 -43.37 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.802 0.841 . . . . 0.0 112.53 -177.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 8.2 p -64.91 -37.64 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 119.272 0.942 . . . . 0.0 110.904 176.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -64.22 -27.97 69.42 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.022 0.929 . . . . 0.0 112.1 174.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.6 t60 -70.6 -66.92 0.54 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.906 0.882 . . . . 0.0 109.862 175.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 4.9 t -56.11 -34.59 66.18 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -174.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -66.77 -13.34 61.34 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 178.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -137.33 3.0 3.25 Favored Glycine 0 CA--C 1.538 1.495 0 N-CA-C 116.424 1.33 . . . . 0.0 116.424 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 49.5 t -57.47 129.36 41.47 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.226 1.513 . . . . 0.0 112.997 -178.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 23.1 tptm -70.68 -16.92 62.84 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.799 1.64 . . . . 0.0 112.411 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 39.6 ttm105 -107.33 -58.85 1.9 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.479 1.912 . . . . 0.0 111.858 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 32.9 tttt 53.52 -171.88 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 127.389 2.275 . . . . 0.0 113.2 -176.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 25.5 p -58.5 -31.08 67.55 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 120.399 -1.438 . . . . 0.0 112.568 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 38.9 t30 -58.22 -35.43 71.66 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.036 1.335 . . . . 0.0 112.229 175.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -101.51 4.75 54.38 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 126.094 1.807 . . . . 0.0 113.965 177.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 83.95 18.15 63.84 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 125.237 1.398 . . . . 0.0 116.376 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 10.4 t -57.67 115.2 10.15 Favored Pre-proline 0 CA--C 1.553 1.073 0 CA-C-N 119.459 1.63 . . . . 0.0 112.114 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -56.9 -44.69 42.32 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.211 2.607 . . . . 0.0 114.096 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 58.6 t -54.44 -60.09 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.423 1.489 . . . . 0.0 111.358 -178.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 35.2 m -52.49 -46.71 66.7 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.967 1.707 . . . . 0.0 110.972 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -47.83 81.61 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.642 1.177 . . . . 0.0 110.926 176.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -60.0 -41.95 93.22 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.472 1.033 . . . . 0.0 112.063 178.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.71 -49.68 69.9 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 118.53 0.605 . . . . 0.0 110.855 177.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 61.9 mt -62.47 -30.36 48.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 125.021 1.329 . . . . 0.0 112.087 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -57.1 -47.2 81.64 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.926 1.239 . . . . 0.0 111.104 175.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 9.1 mp -68.36 -36.25 78.94 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.738 0.815 . . . . 0.0 111.077 176.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 82.6 m -60.53 -40.32 91.07 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.606 0.639 . . . . 0.0 110.734 174.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 93.7 m -64.26 -49.33 72.29 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.102 0.961 . . . . 0.0 111.024 176.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 42.1 t80 -58.92 -40.95 86.1 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.234 0.613 . . . . 0.0 111.524 177.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 47.4 t60 -60.92 -58.62 7.68 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.173 0.989 . . . . 0.0 110.173 174.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -54.51 -30.22 52.82 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.57 1.548 . . . . 0.0 114.746 -178.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -57.68 -44.71 85.96 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.222 1.409 . . . . 0.0 111.033 177.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 46.3 m80 -90.07 -30.09 17.93 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.552 1.941 . . . . 0.0 113.975 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 14.3 t -65.44 156.5 32.18 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.159 1.384 . . . . 0.0 113.311 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -142.64 -3.8 1.0 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.823 2.049 . . . . 0.0 113.875 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -72.29 119.01 15.89 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.639 -1.288 . . . . 0.0 111.62 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.78 -17.11 63.9 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 -178.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -132.67 32.8 3.82 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.59 1.956 . . . . 0.0 113.269 -177.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 13.4 t -50.71 136.83 25.41 Favored Pre-proline 0 CA--C 1.557 1.232 0 C-N-CA 126.484 1.914 . . . . 0.0 112.302 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -64.63 -24.03 63.1 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 123.343 2.695 . . . . 0.0 114.788 -177.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 94.3 t -66.05 123.97 86.54 Favored Pre-proline 0 N--CA 1.475 0.799 0 C-N-CA 124.221 1.009 . . . . 0.0 109.047 177.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -63.13 -47.91 7.32 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 123.011 2.474 . . . . 0.0 114.68 -174.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -73.08 -29.33 62.87 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 114.052 1.131 . . . . 0.0 114.052 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 41.4 t -42.37 -66.16 0.39 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.261 1.825 . . . . 0.0 112.641 -177.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 57.6 mt -53.52 -38.63 63.93 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.911 1.285 . . . . 0.0 113.912 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 51.9 t30 -63.61 -50.21 70.29 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.857 0.753 . . . . 0.0 109.626 175.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 13.1 mm -57.18 -47.89 83.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-O 118.926 -0.559 . . . . 0.0 110.573 177.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -53.04 -44.17 67.19 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.582 1.083 . . . . 0.0 111.647 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 33.2 t60 -62.67 -48.86 77.49 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.188 0.595 . . . . 0.0 111.187 175.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -56.92 -31.29 64.77 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.937 1.695 . . . . 0.0 112.297 176.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 5.0 mp -78.1 -44.97 24.68 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.198 1.799 . . . . 0.0 112.117 176.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 179.01 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 CA--C 1.544 0.716 0 CA-C-O 120.816 0.341 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -149.63 149.46 28.46 Favored Pre-proline 0 CA--C 1.544 0.736 0 C-N-CA 125.709 1.604 . . . . 0.0 109.849 175.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -72.25 -8.69 23.2 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 122.383 2.055 . . . . 0.0 114.866 -176.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -93.06 -17.85 23.34 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -178.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -62.4 -30.34 71.14 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.832 1.197 . . . . 0.0 113.439 -173.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -70.26 -27.11 64.18 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.518 1.527 . . . . 0.0 112.008 175.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.71 -33.14 17.63 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.646 1.578 . . . . 0.0 112.391 177.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 98.0 t -76.53 -51.16 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.713 1.205 . . . . 0.0 111.119 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 44.1 m -56.55 -34.9 67.52 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 -176.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -67.3 -22.41 65.63 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 121.605 -0.684 . . . . 0.0 112.84 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 13.2 mt -90.14 -51.74 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 126.208 1.803 . . . . 0.0 109.35 176.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -152.09 101.6 2.82 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 127.695 2.398 . . . . 0.0 112.777 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -80.92 179.69 5.79 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 123.492 2.794 . . . . 0.0 112.053 177.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -77.21 -20.66 55.01 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.833 -1.167 . . . . 0.0 113.81 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 25.2 p -73.41 -47.28 43.06 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.726 1.61 . . . . 0.0 113.848 -178.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.8 m -141.52 155.41 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.916 1.687 . . . . 0.0 112.329 -178.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 47.2 ttm -82.43 65.65 7.65 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.671 0.788 . . . . 0.0 110.038 175.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 57.5 tp -50.69 -23.66 2.81 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 126.662 1.985 . . . . 0.0 113.6 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.09 -24.18 24.3 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.043 1.337 . . . . 0.0 113.284 174.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.6 p -72.7 -16.73 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 O-C-N 121.207 -0.933 . . . . 0.0 112.349 176.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -111.33 -38.22 5.05 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.669 1.988 . . . . 0.0 112.741 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -65.3 153.12 42.04 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.32 1.848 . . . . 0.0 113.974 -177.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -137.92 86.67 0.22 Allowed Glycine 0 CA--C 1.531 1.079 0 C-N-CA 127.149 2.309 . . . . 0.0 109.874 178.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 83.7 mt -58.14 130.94 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 125.803 1.641 . . . . 0.0 111.782 -176.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -72.41 45.71 0.14 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.643 2.377 . . . . 0.0 113.863 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 63.3 tp . . . . . 0 N--CA 1.48 1.061 0 O-C-N 120.653 -1.279 . . . . 0.0 110.652 172.744 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 44.2 ttm105 . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 112.295 0.479 . . . . 0.0 112.295 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.6 mp -67.22 -42.31 84.28 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.496 1.118 . . . . 0.0 110.68 175.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 48.9 m -63.46 -42.8 98.63 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.477 -0.765 . . . . 0.0 111.469 177.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 41.7 mt -55.83 -61.92 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 125.804 1.642 . . . . 0.0 110.138 176.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -59.78 -33.99 72.42 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -65.78 -54.88 21.18 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.035 0.934 . . . . 0.0 110.847 175.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 38.4 t -56.92 -36.02 69.71 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.639 0.654 . . . . 0.0 111.553 176.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 34.5 mt -58.88 -30.72 43.53 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 O-C-N 121.157 -0.965 . . . . 0.0 112.428 175.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -63.46 -47.23 82.7 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 120.431 1.468 . . . . 0.0 110.122 175.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 19.1 m -62.4 -37.61 86.45 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.964 1.306 . . . . 0.0 111.79 176.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.33 -52.77 63.85 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.952 1.301 . . . . 0.0 110.421 175.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 91.6 t -55.14 -50.08 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-O 118.562 -0.733 . . . . 0.0 110.087 177.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 31.3 t60 -52.76 -57.99 8.33 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.466 0.706 . . . . 0.0 110.843 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -55.06 -31.44 61.14 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 95.4 m -76.38 -13.93 60.1 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 178.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -119.56 -12.62 9.28 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.192 1.397 . . . . 0.0 114.092 178.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 8.8 t -63.55 120.55 11.94 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.878 1.671 . . . . 0.0 112.145 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -72.98 -6.9 48.45 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.145 1.778 . . . . 0.0 114.177 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 43.3 t30 -127.28 112.87 15.57 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.949 1.3 . . . . 0.0 112.744 -177.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -63.17 -11.15 18.53 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 176.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 14.4 m120 -118.13 28.51 8.33 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 127.259 2.224 . . . . 0.0 112.671 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 52.7 t -50.63 152.79 1.86 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.468 2.307 . . . . 0.0 112.637 178.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 17.7 m -80.51 -14.61 58.11 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 -177.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 18.0 tp -69.99 133.02 88.15 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-N 120.761 1.619 . . . . 0.0 109.558 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -63.56 -37.38 48.02 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 121.757 1.638 . . . . 0.0 113.243 -175.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 49.5 m -72.28 -38.43 68.8 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 38.1 t -57.79 -51.13 70.85 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.857 1.263 . . . . 0.0 109.918 177.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -47.67 -51.79 20.46 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.383 1.473 . . . . 0.0 112.471 176.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -72.84 -41.55 64.71 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.669 -0.644 . . . . 0.0 112.581 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 61.3 tpp -58.96 -40.63 85.34 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.57 1.148 . . . . 0.0 112.186 178.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -51.94 -39.71 59.63 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.097 0.959 . . . . 0.0 112.671 177.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -58.91 -55.95 28.52 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 119.18 0.9 . . . . 0.0 111.935 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 23.2 m -64.41 -35.45 74.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 118.853 0.752 . . . . 0.0 112.324 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 41.9 t -60.86 -49.35 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.708 0.803 . . . . 0.0 110.176 175.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -64.71 -26.73 68.5 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.872 0.869 . . . . 0.0 112.561 176.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 5.2 t60 -68.85 -66.88 0.52 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.023 0.929 . . . . 0.0 109.799 176.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 5.5 t -56.2 -34.76 66.56 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -174.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -68.95 -9.88 54.37 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -144.3 16.01 2.09 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 125.166 1.365 . . . . 0.0 115.874 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 43.1 t -57.34 145.72 31.39 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 118.851 1.326 . . . . 0.0 113.1 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -70.28 -18.87 63.13 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.235 1.414 . . . . 0.0 113.144 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -140.61 -26.62 0.74 Allowed 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 177.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1812 ' ' LYS . . . . . 0.449 ' HG2' ' H ' ' A' 1813 ' ' THR . 42.2 tttt 50.58 -163.06 0.05 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.501 1.92 . . . . 0.0 113.299 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . 0.449 ' H ' ' HG2' ' A' 1812 ' ' LYS . 19.9 p -59.86 -26.62 66.0 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 120.382 -1.449 . . . . 0.0 112.745 176.265 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 32.8 t30 -59.53 -43.87 93.35 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.852 1.261 . . . . 0.0 111.423 175.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -89.35 -7.16 69.99 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 124.989 1.281 . . . . 0.0 113.843 176.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 95.75 20.37 26.71 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.673 1.606 . . . . 0.0 116.162 177.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 10.0 t -54.97 113.42 5.38 Favored Pre-proline 0 CA--C 1.555 1.163 0 CA-C-N 119.152 1.476 . . . . 0.0 112.539 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -58.73 -36.26 97.39 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 123.184 2.589 . . . . 0.0 113.873 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 48.9 t -59.66 -62.16 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.17 1.388 . . . . 0.0 110.012 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 49.6 m -52.88 -48.85 66.84 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.149 1.779 . . . . 0.0 111.72 178.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -51.99 64.39 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.497 1.119 . . . . 0.0 111.053 178.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -65.02 -31.88 73.32 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.55 -50.15 64.09 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.341 0.973 . . . . 0.0 109.401 173.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 69.4 mt -62.42 -30.5 49.2 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 125.663 1.585 . . . . 0.0 111.706 178.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -56.85 -49.62 74.9 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 119.721 1.146 . . . . 0.0 110.886 175.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 7.2 mp -67.54 -38.95 84.92 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.144 0.977 . . . . 0.0 110.972 176.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 83.8 m -58.92 -41.86 88.29 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.848 0.749 . . . . 0.0 110.991 174.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 44.7 t -65.76 -48.98 70.01 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.014 1.325 . . . . 0.0 111.257 177.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 3.6 t80 -58.98 -37.69 77.41 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.271 0.628 . . . . 0.0 111.124 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 30.9 t60 -63.81 -58.48 6.7 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.893 1.277 . . . . 0.0 109.946 173.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -52.42 -32.56 39.75 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.051 1.74 . . . . 0.0 114.631 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -54.96 -45.97 74.97 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.942 1.697 . . . . 0.0 111.135 177.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 48.2 m80 -90.17 -27.85 19.29 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 127.007 2.123 . . . . 0.0 114.462 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 8.7 t -63.02 154.28 31.18 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.04 1.336 . . . . 0.0 113.803 -177.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -137.87 -4.87 1.74 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.765 2.026 . . . . 0.0 114.184 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -73.37 118.87 16.84 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.535 -1.353 . . . . 0.0 111.894 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -16.38 60.07 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -178.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -136.73 38.66 2.62 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 126.781 2.032 . . . . 0.0 112.681 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 14.0 t -52.08 136.92 38.08 Favored Pre-proline 0 CA--C 1.558 1.288 0 C-N-CA 125.866 1.666 . . . . 0.0 112.408 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -65.14 -24.08 59.57 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 123.477 2.785 . . . . 0.0 115.174 -177.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 70.3 t -64.39 116.02 24.74 Favored Pre-proline 0 N--CA 1.477 0.915 0 C-N-CA 124.733 1.213 . . . . 0.0 109.504 178.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -47.98 -51.61 9.64 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 124.298 3.332 . . . . 0.0 116.252 -176.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -78.4 -22.44 47.8 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 -176.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 42.7 t -44.1 -66.22 0.41 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.935 1.694 . . . . 0.0 112.803 -176.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 6.3 mp -49.44 -46.04 47.24 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.456 1.902 . . . . 0.0 113.543 177.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 15.0 m120 -61.83 -44.98 95.75 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.449 0.7 . . . . 0.0 110.852 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 9.5 mm -59.86 -46.26 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-O 118.716 -0.659 . . . . 0.0 110.3 175.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 57.2 mttt -52.4 -46.35 66.26 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 119.791 1.178 . . . . 0.0 111.325 177.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 55.2 t60 -58.33 -46.59 85.91 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.851 0.86 . . . . 0.0 111.545 177.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -59.37 -45.53 91.19 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.712 1.205 . . . . 0.0 111.271 175.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 6.1 mp -59.17 -32.54 70.0 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.266 1.426 . . . . 0.0 112.988 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 . . . . . 0 N--CA 1.479 1.02 0 CA-C-N 119.728 1.149 . . . . 0.0 113.474 175.965 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 CA--C 1.541 0.614 0 CA-C-O 121.392 0.615 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -159.44 121.7 1.9 Allowed Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 127.305 2.242 . . . . 0.0 107.784 177.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -63.05 -18.32 64.59 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 122.535 2.157 . . . . 0.0 114.346 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -86.33 -12.16 50.15 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.273 1.429 . . . . 0.0 113.422 178.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -27.47 67.56 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -175.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -64.89 -41.15 95.87 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.977 0.911 . . . . 0.0 110.878 177.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.27 -38.59 75.11 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.34 1.056 . . . . 0.0 111.578 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 92.7 t -64.66 -44.38 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.806 0.842 . . . . 0.0 110.269 176.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 72.8 m -53.25 -43.9 67.72 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.646 1.578 . . . . 0.0 115.174 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -67.24 -19.14 65.48 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 119.324 0.965 . . . . 0.0 113.484 178.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 17.7 mt -90.13 -50.81 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 C-N-CA 126.223 1.809 . . . . 0.0 109.241 177.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -156.67 102.57 1.98 Allowed Pre-proline 0 CA--C 1.559 1.295 0 C-N-CA 128.309 2.644 . . . . 0.0 111.529 176.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -82.18 -18.5 7.33 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 124.132 3.221 . . . . 0.0 115.684 -176.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -142.37 -178.98 6.01 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.144 1.778 . . . . 0.0 110.095 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 16.4 m -58.36 -13.03 4.4 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.193 1.397 . . . . 0.0 114.637 178.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.4 m -63.22 145.14 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 126.216 1.806 . . . . 0.0 111.836 177.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 21.5 mmt -81.78 55.22 2.65 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.028 0.931 . . . . 0.0 111.529 178.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 44.6 tp -54.31 -29.54 47.97 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 120.92 -1.112 . . . . 0.0 112.837 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.06 -22.09 36.53 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.638 0.775 . . . . 0.0 112.994 174.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.24 -19.68 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 O-C-N 120.692 -1.255 . . . . 0.0 112.836 176.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -122.38 -25.74 4.75 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.913 1.685 . . . . 0.0 113.839 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -74.45 167.61 21.36 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.37 1.468 . . . . 0.0 111.205 176.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -148.36 92.0 0.15 Allowed Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.208 0.909 . . . . 0.0 114.422 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 64.9 mt -54.97 125.77 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 124.658 1.183 . . . . 0.0 109.272 175.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -75.9 57.91 1.1 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.355 1.462 . . . . 0.0 113.352 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 61.1 tp . . . . . 0 N--CA 1.474 0.774 0 C-N-CA 125.936 1.695 . . . . 0.0 113.047 178.23 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 6.1 mp -68.41 -30.5 69.42 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 41.0 m -58.42 -46.76 85.83 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.494 1.043 . . . . 0.0 111.723 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 54.6 mt -58.54 -63.0 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 125.345 1.458 . . . . 0.0 110.743 178.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -59.45 -34.72 72.87 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -178.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -63.49 -53.33 53.72 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.799 0.84 . . . . 0.0 110.406 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 32.2 t -57.71 -33.55 68.52 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 118.827 0.74 . . . . 0.0 111.768 176.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 53.5 mt -65.68 -27.52 41.66 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 O-C-N 121.106 -0.996 . . . . 0.0 112.246 176.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -63.63 -46.32 86.22 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 120.569 1.532 . . . . 0.0 109.395 173.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 9.0 m -59.55 -39.08 82.82 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.756 1.623 . . . . 0.0 111.515 175.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 61.1 tp -59.79 -53.96 51.8 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.12 1.368 . . . . 0.0 110.023 175.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 98.4 t -55.61 -50.51 66.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.534 177.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 30.0 t60 -51.46 -60.41 3.17 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.608 0.763 . . . . 0.0 111.121 177.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.65 -27.48 62.87 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -178.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 89.1 m -78.12 -14.54 59.44 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 176.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -118.41 -13.92 9.76 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.156 1.382 . . . . 0.0 114.263 178.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 13.4 t -59.91 116.96 4.49 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.543 1.937 . . . . 0.0 111.918 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -71.75 -6.94 45.02 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.72 2.008 . . . . 0.0 116.18 -176.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 32.9 t30 -137.09 110.21 7.77 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.617 1.167 . . . . 0.0 112.18 -177.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -56.92 -17.4 9.43 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 178.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -87.98 -0.03 56.5 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 125.771 1.628 . . . . 0.0 114.013 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 44.0 t -46.23 111.2 0.34 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.99 2.116 . . . . 0.0 111.454 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 78.6 p -74.36 2.01 10.34 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 -175.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 14.4 tp -61.26 127.34 87.99 Favored Pre-proline 0 CA--C 1.545 0.77 0 C-N-CA 124.655 1.182 . . . . 0.0 109.4 177.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -56.01 -37.23 96.46 Favored 'Trans proline' 0 CA--C 1.536 0.591 0 C-N-CA 122.934 2.423 . . . . 0.0 113.746 -176.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 75.6 m -64.54 -48.98 73.07 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.365 1.066 . . . . 0.0 111.978 176.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 8.6 t -61.55 -51.99 66.31 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.734 1.614 . . . . 0.0 109.839 177.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -46.95 -58.37 4.02 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.229 1.812 . . . . 0.0 111.604 175.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -57.26 -52.08 66.78 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.908 0.883 . . . . 0.0 112.035 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 40.1 tpp -56.69 -38.74 72.69 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.823 0.849 . . . . 0.0 113.051 178.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -55.39 -34.0 63.96 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 117.897 -1.049 . . . . 0.0 113.076 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -59.75 -57.74 11.58 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 120.269 1.395 . . . . 0.0 111.312 176.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 28.9 m -64.13 -36.17 76.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 43.3 t -62.07 -50.62 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.186 0.994 . . . . 0.0 110.432 175.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -61.59 -30.11 70.47 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.8 1.24 . . . . 0.0 112.436 176.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.8 t60 -72.16 -64.31 0.97 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.412 1.085 . . . . 0.0 110.91 176.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 11.7 t -54.02 -34.96 61.33 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 114.53 1.308 . . . . 0.0 114.53 -176.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -69.25 -11.33 60.71 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -139.62 0.92 2.27 Favored Glycine 0 CA--C 1.538 1.509 0 N-CA-C 117.001 1.561 . . . . 0.0 117.001 -177.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 52.9 t -57.34 141.83 45.67 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.341 1.57 . . . . 0.0 113.156 -178.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -74.58 -9.69 58.82 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.09 1.756 . . . . 0.0 112.908 177.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 20.5 mtm180 -120.08 -59.58 1.78 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.248 1.819 . . . . 0.0 113.644 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 52.8 mtpt 56.72 -164.89 0.15 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.555 1.142 . . . . 0.0 110.781 -169.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 17.4 p -56.05 -46.1 79.03 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.726 -1.234 . . . . 0.0 112.642 178.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 11.4 p30 -62.08 -28.47 69.63 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -91.55 -7.71 64.72 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 125.196 1.379 . . . . 0.0 113.887 177.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 87.08 17.94 58.51 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.545 1.545 . . . . 0.0 115.881 177.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 24.5 t -61.93 117.44 29.09 Favored Pre-proline 0 CA--C 1.553 1.061 0 CA-C-N 118.829 1.315 . . . . 0.0 112.382 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -57.13 -39.79 88.09 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.3 2.666 . . . . 0.0 113.692 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 60.7 t -58.8 -63.09 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.282 1.033 . . . . 0.0 109.97 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 41.2 m -53.34 -52.89 57.72 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.773 1.629 . . . . 0.0 111.927 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.3 -50.16 65.49 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.98 0.912 . . . . 0.0 111.438 178.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -66.2 -30.32 70.76 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 178.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.95 -49.66 69.47 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 118.778 0.717 . . . . 0.0 109.078 172.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 31.2 mm -60.96 -31.99 51.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.654 1.182 . . . . 0.0 111.779 177.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -56.53 -45.64 81.02 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 120.362 1.437 . . . . 0.0 111.577 175.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 7.2 mp -69.47 -37.74 77.43 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.892 0.877 . . . . 0.0 110.962 175.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 84.6 m -60.3 -38.05 82.45 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 118.852 0.751 . . . . 0.0 110.697 173.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 95.9 m -67.07 -48.52 68.01 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.395 1.078 . . . . 0.0 111.27 176.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 29.1 t80 -58.06 -40.31 80.68 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.375 0.534 . . . . 0.0 110.839 176.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 46.6 t60 -61.67 -59.69 4.8 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.122 0.969 . . . . 0.0 110.053 174.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -53.18 -31.53 43.28 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.087 1.755 . . . . 0.0 114.672 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -57.25 -47.35 81.59 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.802 1.641 . . . . 0.0 111.103 177.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 44.5 m80 -90.15 -27.91 19.28 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.488 1.915 . . . . 0.0 114.611 -178.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 17.9 t -63.82 149.83 46.08 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.881 1.272 . . . . 0.0 113.86 -177.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -138.86 1.07 2.04 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 127.363 2.265 . . . . 0.0 113.236 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.29 106.03 4.94 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.288 1.435 . . . . 0.0 110.063 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.24 -25.05 12.8 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.332 1.453 . . . . 0.0 114.594 -177.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 97.4 mttt -130.0 33.52 4.38 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.553 1.941 . . . . 0.0 112.727 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 12.1 t -43.57 134.44 3.6 Favored Pre-proline 0 CA--C 1.556 1.175 0 C-N-CA 126.999 2.119 . . . . 0.0 113.407 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -64.34 -23.8 65.24 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 123.227 2.618 . . . . 0.0 114.735 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 96.9 t -66.4 123.3 85.15 Favored Pre-proline 0 N--CA 1.476 0.837 0 C-N-CA 124.18 0.992 . . . . 0.0 108.991 177.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -64.09 -44.85 11.4 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.919 2.413 . . . . 0.0 114.666 -174.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -75.46 -30.34 59.93 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.093 1.145 . . . . 0.0 114.093 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 41.0 t -41.36 -67.5 0.25 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.567 1.947 . . . . 0.0 113.046 -177.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 51.0 mt -55.36 -36.7 66.6 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.475 1.11 . . . . 0.0 113.751 -179.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -64.02 -48.89 74.56 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.64 0.655 . . . . 0.0 109.715 175.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 14.0 mm -58.64 -47.75 87.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 119.005 -0.521 . . . . 0.0 110.6 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -52.14 -45.66 65.07 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 119.419 1.008 . . . . 0.0 111.649 177.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 54.4 t60 -62.36 -50.65 70.74 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.903 0.881 . . . . 0.0 111.17 176.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -54.77 -40.11 69.06 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.424 1.49 . . . . 0.0 111.925 176.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 3.0 mp -60.23 -41.37 92.98 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.611 1.565 . . . . 0.0 112.618 177.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? . . . . . 0 N--CA 1.479 1.011 0 CA-C-N 118.883 0.765 . . . . 0.0 112.226 176.935 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 CA--C 1.542 0.645 0 CA-C-O 121.04 0.448 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -153.36 136.86 10.18 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 124.649 1.18 . . . . 0.0 110.687 -178.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -68.31 -14.7 40.94 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 122.416 2.078 . . . . 0.0 115.132 -177.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -95.56 -12.98 24.83 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.656 1.182 . . . . 0.0 113.865 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -57.94 -37.15 73.6 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.438 1.017 . . . . 0.0 113.651 -174.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -58.76 -40.27 83.4 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.17 1.788 . . . . 0.0 112.034 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.38 -20.69 60.69 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 177.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 12.5 t -82.5 -48.86 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.316 1.046 . . . . 0.0 110.657 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 71.2 m -51.32 -36.69 43.83 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 -177.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -67.79 -24.39 65.31 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 8.2 mt -90.11 -54.31 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 126.629 1.971 . . . . 0.0 109.725 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -152.43 100.89 2.77 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 126.953 2.101 . . . . 0.0 111.57 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.11 172.87 15.52 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 122.537 2.158 . . . . 0.0 111.392 177.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -69.46 -21.46 63.72 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.774 -1.204 . . . . 0.0 114.12 -178.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 19.9 m -78.45 -43.91 25.99 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.388 1.475 . . . . 0.0 114.684 -177.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 32.9 m -143.58 157.03 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 124.999 1.32 . . . . 0.0 112.713 -177.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 34.3 mtp -82.72 65.5 7.88 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.875 0.87 . . . . 0.0 111.24 175.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 37.3 tp -52.0 -25.82 9.3 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.189 1.796 . . . . 0.0 113.696 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.83 -13.64 6.76 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.235 1.414 . . . . 0.0 114.339 175.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.9 p -73.57 -17.31 17.49 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 124.097 0.959 . . . . 0.0 111.73 173.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -130.69 -30.84 1.82 Allowed 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 -177.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.69 167.56 21.56 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 120.661 1.573 . . . . 0.0 112.871 178.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.4 108.07 0.98 Allowed Glycine 0 CA--C 1.533 1.203 0 C-N-CA 125.438 1.494 . . . . 0.0 113.821 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 20.1 mt -60.14 128.3 20.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.824 1.25 . . . . 0.0 110.681 177.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -72.51 42.68 0.1 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 127.834 2.454 . . . . 0.0 114.427 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 43.2 tp . . . . . 0 N--CA 1.477 0.914 0 C-N-CA 126.133 1.773 . . . . 0.0 113.745 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 3.3 mp -72.97 -52.46 14.44 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.298 -0.876 . . . . 0.0 109.954 175.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 73.7 m -53.93 -50.33 66.66 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.237 -0.914 . . . . 0.0 112.545 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 17.4 tt -60.57 -48.64 87.71 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 123.513 0.725 . . . . 0.0 112.254 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -65.88 -34.87 79.14 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.599 1.09 . . . . 0.0 113.194 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -60.01 -52.69 64.31 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.658 1.183 . . . . 0.0 110.161 176.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 27.1 t -59.55 -35.59 74.53 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 122.593 0.357 . . . . 0.0 111.819 175.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 40.9 mt -63.54 -29.43 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 121.184 -0.948 . . . . 0.0 111.9 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -62.4 -45.15 94.42 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 120.359 1.436 . . . . 0.0 109.869 174.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 9.8 m -61.88 -41.26 97.66 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.0 1.32 . . . . 0.0 111.235 176.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 69.4 tp -57.27 -53.03 62.76 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.045 1.338 . . . . 0.0 110.747 175.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 95.3 t -57.02 -52.22 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.459 0.703 . . . . 0.0 110.413 177.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 41.3 t60 -52.92 -56.66 14.28 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.852 0.861 . . . . 0.0 111.459 178.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -56.82 -30.06 63.38 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 85.3 m -75.33 -13.4 60.41 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 176.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -118.46 -18.84 9.05 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.047 1.339 . . . . 0.0 114.282 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 10.9 t -63.78 116.92 6.21 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.828 1.651 . . . . 0.0 111.87 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -72.06 -18.76 61.91 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.565 1.946 . . . . 0.0 115.405 -176.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 29.2 t30 -127.38 112.46 15.04 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.761 1.224 . . . . 0.0 112.988 -175.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -58.67 -15.93 14.01 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 177.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -90.68 7.28 40.23 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 126.144 1.778 . . . . 0.0 113.508 178.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 41.8 t -45.77 133.1 8.49 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.369 2.268 . . . . 0.0 111.859 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 79.6 p -68.7 -5.5 20.71 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 116.507 2.04 . . . . 0.0 116.507 -175.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 29.4 tp -76.75 118.7 73.51 Favored Pre-proline 0 CA--C 1.551 1.008 0 CA-C-N 120.214 1.37 . . . . 0.0 111.12 179.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -49.96 -40.98 49.24 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.475 2.783 . . . . 0.0 115.066 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 88.3 p -73.59 -33.49 64.64 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 49.5 t -61.37 -51.82 67.18 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.214 1.405 . . . . 0.0 109.427 175.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -48.49 -51.12 28.75 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.68 1.592 . . . . 0.0 111.874 176.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 94.1 mttt -62.0 -53.81 50.34 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.587 1.155 . . . . 0.0 111.233 177.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 52.3 tpp -60.31 -28.57 68.23 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.931 1.293 . . . . 0.0 114.391 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -56.34 -44.16 79.77 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 120.545 -1.347 . . . . 0.0 111.281 175.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -62.04 -39.89 93.89 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.977 0.911 . . . . 0.0 111.554 176.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1802 ' ' VAL . . . . . 0.467 HG12 HD22 ' A' 1823 ' ' LEU . 58.1 t -60.78 -58.3 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 126.16 1.784 . . . . 0.0 111.426 178.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 7.7 p -61.56 -36.93 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 118.914 0.779 . . . . 0.0 112.069 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -65.89 -23.41 66.64 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.505 1.122 . . . . 0.0 113.302 175.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 19.2 t60 -70.87 -66.3 0.63 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.423 1.011 . . . . 0.0 110.461 177.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 10.9 t -52.92 -37.85 61.26 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 -176.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -68.61 -11.34 59.92 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -136.37 7.71 4.01 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.515 1.531 . . . . 0.0 115.812 -178.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 49.7 t -59.03 142.57 50.92 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.991 1.395 . . . . 0.0 112.516 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -71.35 -16.99 62.45 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.605 1.562 . . . . 0.0 113.608 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.47 -23.8 0.59 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 12.0 tttp 53.26 -165.39 0.08 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.161 1.784 . . . . 0.0 113.488 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 17.9 p -59.22 -28.8 67.0 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.998 1.319 . . . . 0.0 112.295 174.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 33.4 t30 -57.97 -46.35 85.28 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.335 1.454 . . . . 0.0 111.727 176.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -86.74 -8.97 75.65 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.544 1.069 . . . . 0.0 113.887 176.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 98.62 21.19 17.25 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.431 1.491 . . . . 0.0 116.315 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 12.8 t -55.3 115.06 8.28 Favored Pre-proline 0 CA--C 1.556 1.177 0 CA-C-N 119.357 1.578 . . . . 0.0 111.869 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -54.88 -48.85 19.0 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.694 2.929 . . . . 0.0 114.241 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -60.2 -49.26 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.656 1.182 . . . . 0.0 111.507 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 85.4 m -55.57 -48.62 74.48 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.297 0.953 . . . . 0.0 110.084 175.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1821 ' ' LYS . . . . . 0.405 ' HE2' ' O ' ' A' 1821 ' ' LYS . 0.1 OUTLIER -56.21 -47.36 78.55 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.36 -0.837 . . . . 0.0 111.064 177.046 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -60.02 -43.33 95.32 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.574 -0.703 . . . . 0.0 111.973 177.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1823 ' ' LEU . . . . . 0.467 HD22 HG12 ' A' 1802 ' ' VAL . 25.6 tp -64.56 -47.78 77.46 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.144 -0.973 . . . . 0.0 111.439 177.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 34.4 mm -61.4 -32.37 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 123.9 0.88 . . . . 0.0 111.21 176.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -57.9 -46.68 84.56 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.822 1.192 . . . . 0.0 111.175 174.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 8.0 mp -67.26 -40.69 86.25 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.954 0.901 . . . . 0.0 111.29 176.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 77.7 m -58.8 -42.58 89.41 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 118.597 0.635 . . . . 0.0 110.497 175.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 45.2 t -65.01 -50.98 64.15 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.116 1.366 . . . . 0.0 111.2 176.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 11.7 t80 -57.29 -38.4 73.9 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.715 0.806 . . . . 0.0 111.551 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 54.7 t60 -64.44 -59.67 4.06 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.179 0.992 . . . . 0.0 109.888 173.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -52.83 -32.75 46.01 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.873 1.669 . . . . 0.0 114.838 -178.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -56.37 -45.53 80.45 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.779 1.632 . . . . 0.0 111.244 177.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 43.4 m80 -90.01 -27.76 19.54 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.239 1.816 . . . . 0.0 113.743 -179.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 11.5 t -67.29 164.96 17.26 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.094 1.358 . . . . 0.0 113.15 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -154.77 -3.42 0.16 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.637 1.975 . . . . 0.0 114.674 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -69.34 116.19 9.48 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 120.807 -1.183 . . . . 0.0 110.848 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -16.83 57.85 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -177.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -129.86 29.42 4.99 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.626 1.97 . . . . 0.0 113.459 -178.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 8.9 t -49.01 134.49 14.82 Favored Pre-proline 0 CA--C 1.556 1.187 0 C-N-CA 126.293 1.837 . . . . 0.0 111.57 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -64.37 -23.2 65.56 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 123.354 2.703 . . . . 0.0 115.097 -176.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 89.1 t -69.4 118.42 62.09 Favored Pre-proline 0 N--CA 1.474 0.756 0 C-N-CA 124.361 1.064 . . . . 0.0 108.528 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -64.52 -38.11 34.62 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.511 2.141 . . . . 0.0 113.801 -176.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -74.43 -29.23 61.4 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 118.286 -0.864 . . . . 0.0 113.302 179.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 37.6 t -49.76 -66.32 0.41 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.19 1.396 . . . . 0.0 111.187 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 69.4 mt -51.64 -41.3 61.21 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.728 1.611 . . . . 0.0 113.5 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -61.5 -50.56 72.22 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.601 0.761 . . . . 0.0 110.114 176.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 7.9 mm -59.73 -46.98 92.91 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 CA-C-O 118.663 -0.684 . . . . 0.0 110.595 175.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -52.78 -46.56 67.64 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 119.825 1.193 . . . . 0.0 111.135 177.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 56.1 t60 -58.92 -49.13 78.98 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.175 0.99 . . . . 0.0 111.358 176.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 14.4 mptt -56.83 -44.39 82.03 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.753 1.221 . . . . 0.0 111.563 175.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 5.0 mp -57.51 -34.4 69.06 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.136 1.374 . . . . 0.0 112.721 177.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 59.1 mmt-85 . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 113.807 1.039 . . . . 0.0 113.807 176.701 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 CA--C 1.542 0.669 0 CA-C-O 120.94 0.4 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -155.41 151.76 23.19 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 125.99 1.716 . . . . 0.0 110.424 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -74.13 -9.03 21.7 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.402 2.068 . . . . 0.0 114.587 -177.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -87.57 -30.2 20.71 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.363 -0.836 . . . . 0.0 113.22 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -60.26 -27.49 67.29 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.328 1.051 . . . . 0.0 112.416 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -59.57 -38.68 81.79 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.105 1.762 . . . . 0.0 111.207 175.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.64 -43.9 21.95 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.344 1.058 . . . . 0.0 110.738 175.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 46.3 t -58.32 -36.75 59.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 O-C-N 121.486 -0.759 . . . . 0.0 111.353 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 66.7 m -59.42 -24.54 63.57 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 115.773 1.768 . . . . 0.0 115.773 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -90.03 -22.37 21.9 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.95 1.25 . . . . 0.0 112.515 175.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 10.7 mt -90.32 -54.03 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 126.073 1.749 . . . . 0.0 112.383 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -143.83 75.43 16.05 Favored Pre-proline 0 CA--C 1.556 1.19 0 C-N-CA 127.221 2.208 . . . . 0.0 111.312 -178.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -65.15 171.17 9.4 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 122.17 1.913 . . . . 0.0 113.107 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -63.66 -19.9 65.27 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 120.982 -1.074 . . . . 0.0 113.796 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 22.1 p -78.66 -52.76 7.96 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.19 1.796 . . . . 0.0 113.378 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 35.4 m -144.38 160.28 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 125.631 1.572 . . . . 0.0 113.874 -176.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 83.7 mtp -87.5 66.53 9.06 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.056 0.942 . . . . 0.0 108.877 172.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 12.0 tp -48.31 -27.67 2.66 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.219 1.808 . . . . 0.0 115.63 -173.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.3 -21.14 13.47 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 176.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 6.3 p -68.2 -17.56 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 O-C-N 121.015 -1.053 . . . . 0.0 112.272 175.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -133.15 -1.24 3.26 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.399 1.88 . . . . 0.0 115.206 -178.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -134.74 146.41 49.39 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.68 1.592 . . . . 0.0 111.982 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -99.85 145.49 17.43 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.949 1.261 . . . . 0.0 113.645 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 38.7 mt -80.55 152.45 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.415 1.486 . . . . 0.0 111.847 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 47.1 p-10 -69.11 27.18 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 128.552 2.741 . . . . 0.0 116.015 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 27.5 tp . . . . . 0 N--CA 1.475 0.8 0 C-N-CA 126.694 1.998 . . . . 0.0 113.151 178.59 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 6.2 mp -73.46 -52.74 12.6 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.191 0.996 . . . . 0.0 109.695 174.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 37.8 m -52.17 -51.12 59.95 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.711 0.804 . . . . 0.0 112.692 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 16.7 tt -61.14 -50.43 80.54 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 124.098 0.959 . . . . 0.0 112.393 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -64.3 -39.28 93.61 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.608 1.094 . . . . 0.0 112.639 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 15.3 mmp_? -60.09 -54.06 50.36 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.415 1.086 . . . . 0.0 110.026 176.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 33.6 t -55.53 -38.83 69.77 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.134 0.574 . . . . 0.0 111.774 176.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 40.7 mt -64.83 -28.81 45.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 O-C-N 121.161 -0.962 . . . . 0.0 112.662 176.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -63.39 -46.37 86.75 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 120.651 1.568 . . . . 0.0 109.853 173.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 51.1 m -60.21 -38.76 84.32 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.983 1.313 . . . . 0.0 111.78 176.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 64.1 tp -60.5 -50.87 71.82 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.892 1.277 . . . . 0.0 110.556 176.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 95.2 t -56.37 -48.14 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.589 177.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 27.2 t60 -52.05 -58.21 7.22 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.01 0.823 . . . . 0.0 110.884 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.33 -28.46 63.12 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 97.1 m -78.12 -14.19 59.57 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 177.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -120.01 -14.1 8.93 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 9.2 t -59.28 121.64 11.89 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.693 1.597 . . . . 0.0 111.992 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -76.2 -13.8 60.17 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.777 2.031 . . . . 0.0 115.388 -175.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 30.3 t30 -131.55 111.6 11.89 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.819 1.247 . . . . 0.0 112.712 -176.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -57.63 -17.23 13.47 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 177.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -89.25 4.47 48.61 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.041 1.737 . . . . 0.0 113.8 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 49.5 t -46.35 123.85 5.19 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.961 2.104 . . . . 0.0 111.864 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 78.8 p -77.57 -1.53 31.16 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -176.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 16.2 tp -65.59 131.21 94.76 Favored Pre-proline 0 CA--C 1.548 0.894 0 CA-C-N 119.994 1.27 . . . . 0.0 110.505 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -54.92 -43.11 62.52 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 122.607 2.205 . . . . 0.0 113.095 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 68.6 m -62.47 -49.34 75.81 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.315 1.446 . . . . 0.0 112.748 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 12.9 t -56.5 -51.54 68.12 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.054 1.342 . . . . 0.0 110.118 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -55.11 -47.72 74.6 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.668 1.187 . . . . 0.0 112.742 177.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -57.38 -52.38 65.61 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 118.957 0.799 . . . . 0.0 111.178 176.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -44.17 77.65 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.938 0.895 . . . . 0.0 112.735 177.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -50.34 -36.8 33.73 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.963 0.801 . . . . 0.0 113.119 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -60.71 -57.82 11.1 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.652 1.114 . . . . 0.0 111.635 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 24.6 m -65.29 -34.39 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 118.529 0.604 . . . . 0.0 112.572 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 30.0 t -62.08 -50.19 81.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.808 1.243 . . . . 0.0 110.157 175.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -62.77 -28.64 70.12 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.788 0.835 . . . . 0.0 112.061 176.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 10.0 t60 -69.1 -65.72 0.67 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.678 0.791 . . . . 0.0 110.419 175.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 13.6 t -53.63 -35.08 60.56 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -175.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -73.53 -14.76 61.27 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 178.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -125.1 -9.68 5.03 Favored Glycine 0 CA--C 1.537 1.457 0 N-CA-C 116.479 1.351 . . . . 0.0 116.479 -177.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 47.6 t -58.59 144.24 43.56 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.218 1.407 . . . . 0.0 112.499 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 98.5 mttt -102.31 -4.5 25.52 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.508 1.923 . . . . 0.0 112.878 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -103.7 -58.73 1.83 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.446 1.898 . . . . 0.0 110.319 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 45.5 mtpt 54.54 177.37 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 128.522 2.729 . . . . 0.0 114.911 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 75.4 p -57.99 -37.41 74.19 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 120.667 -1.271 . . . . 0.0 113.453 -178.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -64.58 -24.29 67.55 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.226 1.011 . . . . 0.0 113.162 177.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -96.57 -21.31 22.13 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.916 1.246 . . . . 0.0 113.227 176.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 114.67 13.22 9.67 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 125.736 1.636 . . . . 0.0 115.798 179.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 20.7 t -60.38 120.89 55.87 Favored Pre-proline 0 CA--C 1.551 1.011 0 CA-C-N 119.254 1.527 . . . . 0.0 112.14 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -67.34 -39.95 11.87 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 123.041 2.494 . . . . 0.0 113.708 -178.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 61.5 t -58.0 -56.76 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.531 1.059 . . . . 0.0 110.725 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 56.2 m -53.52 -45.12 69.64 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.792 1.237 . . . . 0.0 110.53 177.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -41.85 78.22 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 118.466 -0.778 . . . . 0.0 112.473 177.158 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -61.4 -41.38 97.04 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.338 0.972 . . . . 0.0 111.372 178.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 6.1 mt -65.88 -53.33 41.01 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 122.927 0.491 . . . . 0.0 111.408 175.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 27.0 mm -58.05 -37.74 63.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 123.382 0.673 . . . . 0.0 112.26 -179.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -55.4 -49.6 71.95 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.59 1.087 . . . . 0.0 111.73 176.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 5.2 mp -68.16 -37.22 80.77 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.921 0.888 . . . . 0.0 111.579 177.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 76.2 m -60.5 -40.11 90.16 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.039 0.836 . . . . 0.0 110.656 174.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 84.7 m -64.89 -49.26 71.14 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.028 0.931 . . . . 0.0 111.333 176.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 38.5 t80 -60.12 -38.37 82.84 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.944 -0.473 . . . . 0.0 111.701 177.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 41.1 t60 -62.45 -58.41 7.73 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.107 0.963 . . . . 0.0 109.94 174.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -53.63 -30.47 43.0 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.69 1.596 . . . . 0.0 114.76 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -57.48 -47.23 82.43 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.468 1.507 . . . . 0.0 110.995 177.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 46.6 m80 -90.04 -27.45 19.71 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.603 1.961 . . . . 0.0 114.666 -178.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1834 ' ' CYS . . . . . 0.466 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 9.4 t -64.52 150.5 46.59 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.792 1.237 . . . . 0.0 113.567 -177.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -137.47 -3.78 1.89 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.372 1.869 . . . . 0.0 114.208 -178.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -75.72 113.39 13.13 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.738 -1.226 . . . . 0.0 111.613 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 36.1 t30 -60.35 -15.22 23.67 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -178.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -130.59 30.64 4.66 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 127.016 2.126 . . . . 0.0 113.279 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 33.3 t -48.82 134.68 14.12 Favored Pre-proline 0 CA--C 1.559 1.306 0 C-N-CA 126.172 1.789 . . . . 0.0 112.976 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -66.14 -21.9 54.97 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 123.587 2.858 . . . . 0.0 115.522 -177.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 75.9 t -65.16 116.61 31.87 Favored Pre-proline 0 N--CA 1.477 0.878 0 C-N-CA 124.553 1.141 . . . . 0.0 109.698 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -49.32 -50.46 12.89 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 124.114 3.209 . . . . 0.0 116.193 -176.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -78.55 -27.16 45.84 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -176.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 52.0 t -42.67 -67.65 0.25 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.456 1.902 . . . . 0.0 113.051 -177.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 63.3 mt -53.33 -35.75 60.53 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.481 1.512 . . . . 0.0 113.946 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -66.09 -48.96 69.21 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.514 0.597 . . . . 0.0 110.061 175.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 11.9 mm -58.17 -46.36 88.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 123.134 0.574 . . . . 0.0 110.669 176.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1848 ' ' LYS . . . . . 0.466 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 68.1 mttt -51.45 -44.54 62.41 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.347 0.976 . . . . 0.0 112.082 177.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 60.8 t60 -63.59 -51.98 62.98 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.434 0.694 . . . . 0.0 110.724 176.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 10.4 mptt -51.57 -41.22 61.0 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.181 1.393 . . . . 0.0 111.707 176.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 3.0 mp -60.18 -22.21 62.65 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.368 1.867 . . . . 0.0 115.145 177.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? . . . . . 0 N--CA 1.479 1.02 0 C-N-CA 124.915 1.286 . . . . 0.0 111.579 175.192 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 CA--C 1.541 0.622 0 CA-C-O 121.101 0.477 . . . . 0.0 111.42 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -152.57 135.56 9.4 Favored Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 125.873 1.669 . . . . 0.0 109.833 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -65.7 -15.24 48.44 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 122.756 2.304 . . . . 0.0 115.342 -177.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -96.95 -12.96 22.72 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.784 1.234 . . . . 0.0 113.603 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.09 -31.56 67.23 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -172.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -65.42 -42.8 92.12 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.606 1.162 . . . . 0.0 110.931 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.55 -25.12 65.65 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.344 1.058 . . . . 0.0 113.188 177.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 22.3 t -82.29 -47.4 19.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.399 1.08 . . . . 0.0 110.173 175.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 53.2 m -53.27 -37.82 62.5 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.687 1.595 . . . . 0.0 114.321 -176.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -67.6 -24.53 65.5 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 16.8 mt -90.04 -55.7 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 127.165 2.186 . . . . 0.0 110.443 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -150.36 98.78 3.25 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 127.603 2.361 . . . . 0.0 111.64 177.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -76.92 172.28 16.47 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 122.915 2.41 . . . . 0.0 111.498 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -71.52 -20.26 62.07 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 120.952 -1.093 . . . . 0.0 113.527 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 18.8 t -74.43 -47.8 31.5 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.385 1.474 . . . . 0.0 114.489 -178.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.5 m -140.24 158.59 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 124.677 1.191 . . . . 0.0 114.02 -176.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 58.8 tpp -78.4 62.51 3.05 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.394 1.478 . . . . 0.0 110.851 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 41.7 tp -56.64 -25.21 52.75 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 120.785 -1.197 . . . . 0.0 112.635 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.52 -21.2 24.54 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.972 1.309 . . . . 0.0 113.898 175.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 2.7 p -73.69 -16.38 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 119.286 0.948 . . . . 0.0 112.846 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -123.6 -19.58 5.78 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.304 1.442 . . . . 0.0 113.872 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -71.16 155.94 40.16 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.839 1.256 . . . . 0.0 111.997 177.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -142.01 90.51 0.18 Allowed Glycine 0 CA--C 1.529 0.92 0 C-N-CA 126.525 2.012 . . . . 0.0 109.879 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.33 133.09 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.422 1.489 . . . . 0.0 112.846 -176.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -59.14 8.46 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 130.12 3.368 . . . . 0.0 117.663 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 59.7 tp . . . . . 0 CA--C 1.551 0.988 0 C-N-CA 125.506 1.522 . . . . 0.0 114.382 179.339 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.693 0.282 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 8.7 mp -66.72 -38.66 87.16 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.05 1.34 . . . . 0.0 111.656 177.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1772 ' ' SER . . . . . . . . . . . . . 72.1 m -69.24 -38.37 78.45 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.183 -0.948 . . . . 0.0 112.473 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 45.4 mt -57.79 -60.23 2.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 124.434 1.094 . . . . 0.0 109.429 176.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -59.05 -35.1 72.76 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -64.15 -53.6 46.89 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.893 0.877 . . . . 0.0 110.275 174.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 34.5 t -58.58 -31.85 68.41 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.475 0.71 . . . . 0.0 111.843 176.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 50.8 mt -64.49 -29.89 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 O-C-N 120.451 -1.406 . . . . 0.0 111.691 174.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -62.59 -43.54 98.57 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.369 1.441 . . . . 0.0 109.56 174.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1779 ' ' SER . . . . . . . . . . . . . 4.0 m -60.75 -43.9 97.39 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.989 1.715 . . . . 0.0 110.502 175.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.14 -59.27 5.34 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.126 1.771 . . . . 0.0 110.618 176.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 96.9 t -54.92 -48.16 75.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.211 1.004 . . . . 0.0 111.17 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 27.3 t60 -55.0 -59.85 4.18 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.464 0.706 . . . . 0.0 110.482 176.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.49 -28.98 63.9 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -178.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 60.9 m -73.14 -17.67 61.36 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 176.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -119.88 -14.56 8.94 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.869 1.268 . . . . 0.0 114.392 179.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 13.0 t -51.23 117.17 2.41 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.698 1.999 . . . . 0.0 112.21 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 66.3 mmt-85 -71.04 -5.71 33.43 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.989 1.716 . . . . 0.0 114.705 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 38.8 t30 -128.81 109.05 10.95 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.734 1.614 . . . . 0.0 112.243 -178.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.17 -13.66 8.06 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 177.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 15.9 m120 -109.3 10.24 25.66 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.195 1.798 . . . . 0.0 113.983 -178.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 49.4 t -44.05 114.59 0.69 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.179 2.192 . . . . 0.0 111.607 178.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1792 ' ' SER . . . . . . . . . . . . . 2.2 m -73.23 1.55 9.13 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 116.372 1.989 . . . . 0.0 116.372 -173.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 17.4 tp -62.37 126.86 88.9 Favored Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 124.802 1.241 . . . . 0.0 108.802 177.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -57.8 -34.29 98.04 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.325 2.017 . . . . 0.0 114.432 -174.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1795 ' ' SER . . . . . . . . . . . . . 8.3 p -66.29 -53.25 38.82 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.792 0.837 . . . . 0.0 111.031 174.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 9.8 t -56.13 -49.95 72.47 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.618 1.567 . . . . 0.0 110.869 178.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -46.94 -58.44 3.95 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.973 1.709 . . . . 0.0 111.298 175.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -63.48 -40.72 97.84 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1799 ' ' MET . . . . . . . . . . . . . 3.3 tpt -59.57 -41.59 90.54 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.353 0.524 . . . . 0.0 111.958 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 6.1 mptp? -54.81 -35.73 64.21 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.944 0.897 . . . . 0.0 112.598 177.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -60.78 -56.44 21.17 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.867 1.212 . . . . 0.0 111.356 176.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 16.2 m -63.85 -37.87 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 118.713 0.688 . . . . 0.0 112.442 178.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 41.4 t -60.99 -50.62 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.373 1.069 . . . . 0.0 110.692 176.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -62.83 -30.22 71.33 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.059 0.944 . . . . 0.0 112.099 176.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 5.8 t60 -68.21 -65.7 0.66 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.814 0.846 . . . . 0.0 110.356 176.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1806 ' ' THR . . . . . . . . . . . . . 13.4 t -53.66 -34.57 59.09 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -176.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -74.05 -10.11 59.3 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -143.22 6.86 2.03 Favored Glycine 0 CA--C 1.538 1.527 0 N-CA-C 117.415 1.726 . . . . 0.0 117.415 -176.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 41.1 t -55.81 146.76 20.72 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 119.355 1.577 . . . . 0.0 113.221 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -66.19 -23.0 66.37 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.531 1.932 . . . . 0.0 113.305 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -134.1 -30.33 1.2 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 -178.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 61.2 mtpt 55.6 -174.33 0.05 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.05 1.74 . . . . 0.0 113.883 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 9.9 p -55.99 -44.05 78.22 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.523 -1.36 . . . . 0.0 112.573 177.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -61.32 -22.0 64.49 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.403 1.081 . . . . 0.0 113.515 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -101.91 -6.25 49.39 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.82 1.676 . . . . 0.0 113.61 176.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 101.48 12.62 35.09 Favored Glycine 0 CA--C 1.537 1.446 0 N-CA-C 117.385 1.714 . . . . 0.0 117.385 176.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 14.6 t -62.71 120.41 59.8 Favored Pre-proline 0 CA--C 1.553 1.072 0 CA-C-N 120.17 1.985 . . . . 0.0 113.355 -178.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -66.44 -35.61 29.91 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.095 2.53 . . . . 0.0 114.057 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 58.6 t -62.68 -52.4 60.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 119.722 1.147 . . . . 0.0 110.199 178.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 58.3 m -55.78 -50.74 69.63 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.731 1.213 . . . . 0.0 110.097 176.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1821 ' ' LYS . . . . . 0.423 ' O ' ' HE2' ' A' 1821 ' ' LYS . 0.0 OUTLIER -53.27 -45.14 68.73 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.024 0.93 . . . . 0.0 110.903 176.868 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.62 -47.81 83.12 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.358 0.663 . . . . 0.0 112.206 177.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.58 -45.47 93.99 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.318 0.963 . . . . 0.0 111.048 176.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 26.9 mm -63.23 -33.98 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 123.691 0.797 . . . . 0.0 112.094 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -60.82 -39.65 89.83 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 120.413 1.46 . . . . 0.0 110.371 175.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.99 -44.71 79.68 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.865 0.866 . . . . 0.0 111.03 174.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 77.5 m -58.78 -35.94 73.62 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.7 0.8 . . . . 0.0 110.776 175.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 88.8 m -63.29 -52.61 61.26 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.962 0.905 . . . . 0.0 110.617 175.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 29.6 t80 -56.5 -42.96 79.21 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.339 0.972 . . . . 0.0 111.299 176.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 53.0 t60 -58.6 -61.58 2.49 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.07 0.548 . . . . 0.0 110.234 176.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -55.67 -32.17 63.01 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.464 1.506 . . . . 0.0 114.397 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -56.63 -48.0 78.48 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.979 1.712 . . . . 0.0 111.008 177.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 44.2 m80 -90.09 -21.22 22.4 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.412 1.885 . . . . 0.0 114.958 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1834 ' ' CYS . . . . . 0.438 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 6.8 t -65.37 165.01 12.55 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.854 1.261 . . . . 0.0 113.836 -178.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -153.18 -3.17 0.21 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.279 1.832 . . . . 0.0 115.111 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -73.13 128.71 36.26 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 120.778 -1.202 . . . . 0.0 112.029 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 36.3 t30 -67.83 -21.99 65.18 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -178.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -137.17 47.95 2.09 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.914 2.085 . . . . 0.0 111.722 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 11.9 t -54.99 135.41 67.18 Favored Pre-proline 0 CA--C 1.558 1.269 0 C-N-CA 125.584 1.553 . . . . 0.0 112.044 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -65.32 -19.49 61.9 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 123.478 2.785 . . . . 0.0 115.231 -177.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 81.2 t -72.02 116.56 49.75 Favored Pre-proline 0 N--CA 1.475 0.789 0 C-N-CA 124.823 1.249 . . . . 0.0 110.172 178.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -51.3 -47.71 24.67 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.953 3.102 . . . . 0.0 115.539 -178.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -76.88 -23.99 52.6 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 114.916 1.45 . . . . 0.0 114.916 -177.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 53.7 t -48.17 -67.11 0.3 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.36 1.464 . . . . 0.0 112.575 -177.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 1.3 mp -53.09 -38.95 63.01 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.095 1.358 . . . . 0.0 113.467 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -61.17 -50.1 74.52 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.59 0.756 . . . . 0.0 110.222 175.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 9.8 mm -59.78 -45.92 94.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 118.841 -0.599 . . . . 0.0 110.776 175.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1848 ' ' LYS . . . . . 0.438 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 66.1 mttt -50.97 -45.6 60.91 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 119.795 1.18 . . . . 0.0 111.055 176.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 57.2 t60 -62.32 -47.51 83.93 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.384 0.674 . . . . 0.0 111.143 175.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -54.33 -39.61 67.22 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.742 0.817 . . . . 0.0 112.026 177.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.16 -33.33 75.76 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.065 1.746 . . . . 0.0 113.775 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? . . . . . 0 N--CA 1.481 1.087 0 CA-C-N 119.563 1.074 . . . . 0.0 113.418 179.503 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 CA--C 1.544 0.715 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -145.89 130.06 8.68 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 124.95 1.3 . . . . 0.0 109.926 176.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -63.34 -19.17 67.68 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 122.685 2.257 . . . . 0.0 115.289 -175.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -82.12 -16.0 51.42 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.452 -0.78 . . . . 0.0 112.86 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -60.52 -30.28 69.64 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.619 1.1 . . . . 0.0 113.951 -176.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -64.17 -45.69 87.3 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.419 1.088 . . . . 0.0 111.019 177.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.44 -48.41 70.07 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.868 1.267 . . . . 0.0 110.893 176.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 74.0 t -52.86 -45.97 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.049 0.94 . . . . 0.0 110.065 176.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 71.1 m -58.86 -29.28 66.85 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -75.5 -20.74 58.55 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 120.647 1.567 . . . . 0.0 112.585 176.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 5.7 mt -90.19 -53.23 9.45 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 C-N-CA 125.458 1.503 . . . . 0.0 110.092 176.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -149.26 93.09 4.17 Favored Pre-proline 0 CA--C 1.558 1.285 0 C-N-CA 127.244 2.218 . . . . 0.0 111.87 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -75.74 171.24 18.56 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 124.283 3.322 . . . . 0.0 113.783 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -67.51 -19.56 65.32 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 23.1 p -75.49 -51.51 12.82 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.566 1.547 . . . . 0.0 113.247 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 35.1 m -144.47 157.27 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 125.737 1.615 . . . . 0.0 113.19 -177.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 8.1 tpt -74.38 52.75 0.49 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.966 2.106 . . . . 0.0 111.984 175.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 28.0 tp -45.68 -28.46 1.01 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 127.797 2.439 . . . . 0.0 115.603 -174.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.56 -16.75 17.01 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.529 1.132 . . . . 0.0 113.817 175.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 4.1 p -73.38 -14.72 16.78 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 C-N-CA 124.555 1.142 . . . . 0.0 112.343 174.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -131.86 -30.14 1.63 Allowed 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.23 169.16 18.82 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 120.231 1.378 . . . . 0.0 112.213 177.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.95 114.82 1.18 Allowed Glycine 0 CA--C 1.53 1.002 0 C-N-CA 124.1 0.857 . . . . 0.0 113.946 -177.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 67.1 mt -66.02 112.92 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 125.107 1.363 . . . . 0.0 109.512 176.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -76.29 67.23 2.51 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.802 1.241 . . . . 0.0 110.568 176.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 59.5 tp . . . . . 0 N--CA 1.474 0.736 0 C-N-CA 127.284 2.234 . . . . 0.0 113.285 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 53.9 m . . . . . 0 CA--C 1.543 0.694 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -67.01 -16.03 48.43 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 123.369 2.713 . . . . 0.0 114.083 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -72.9 -19.83 61.2 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.13 1.772 . . . . 0.0 112.59 177.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -53.19 -56.86 13.06 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.176 1.39 . . . . 0.0 113.091 -177.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 67.1 p -55.06 -43.25 73.66 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.86 0.864 . . . . 0.0 113.33 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.5 -47.53 63.56 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.721 0.808 . . . . 0.0 111.222 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -58.5 -40.42 82.76 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.876 1.271 . . . . 0.0 111.695 176.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 6.5 mp -66.23 -43.42 86.65 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.514 1.126 . . . . 0.0 110.828 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 60.0 m -61.54 -43.0 99.65 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.491 -0.755 . . . . 0.0 111.136 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 52.6 mt -56.64 -61.59 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 124.784 1.233 . . . . 0.0 110.437 175.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -61.54 -34.01 74.81 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -178.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 71.5 mmt-85 -63.37 -49.9 72.02 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.081 0.855 . . . . 0.0 110.459 175.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 17.8 t -62.63 -31.97 72.92 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.287 0.635 . . . . 0.0 111.864 176.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 48.9 mt -64.66 -27.64 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 120.564 -1.335 . . . . 0.0 112.052 175.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -66.25 -40.02 89.91 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 120.456 -1.403 . . . . 0.0 109.363 173.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 3.3 m -63.16 -39.89 95.97 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.773 1.629 . . . . 0.0 110.951 175.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 54.9 tp -57.36 -57.75 11.28 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.271 1.428 . . . . 0.0 109.694 174.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 98.6 t -54.58 -51.42 50.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-O 118.36 -0.828 . . . . 0.0 110.439 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 18.2 t60 -51.29 -61.88 1.96 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.032 0.933 . . . . 0.0 111.033 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.45 -25.95 60.45 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -178.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 69.5 m -80.55 -14.8 57.92 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.236 1.015 . . . . 0.0 113.702 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -120.04 -12.45 9.12 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.201 1.4 . . . . 0.0 114.689 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 19.8 t -54.52 120.38 6.57 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 127.353 2.261 . . . . 0.0 111.913 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -68.69 -7.72 35.99 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.98 2.112 . . . . 0.0 116.384 -176.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 33.6 t30 -140.19 115.23 9.72 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.88 1.272 . . . . 0.0 112.464 -177.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -58.82 -17.26 22.05 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -95.19 6.94 47.66 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 126.68 1.992 . . . . 0.0 114.269 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 46.8 t -44.23 125.34 4.48 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.814 2.046 . . . . 0.0 113.152 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 38.7 m -79.77 -5.23 54.92 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -176.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.04 116.34 23.95 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 126.31 1.844 . . . . 0.0 108.506 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -47.35 -41.94 28.16 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.655 2.904 . . . . 0.0 115.356 -175.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 19.9 m -66.92 -42.78 84.78 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.394 0.677 . . . . 0.0 112.013 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 32.6 t -61.85 -50.98 70.08 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.474 1.51 . . . . 0.0 109.359 176.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -50.25 -50.22 50.7 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.546 1.138 . . . . 0.0 112.164 176.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 81.5 mttt -63.5 -46.44 86.11 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.286 1.034 . . . . 0.0 111.365 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 3.1 tpt -59.33 -41.18 88.55 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.232 1.013 . . . . 0.0 112.768 177.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -50.38 -39.66 47.35 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.23 1.412 . . . . 0.0 112.81 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -59.57 -58.19 9.67 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.255 0.934 . . . . 0.0 111.948 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 17.2 m -63.4 -36.77 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 118.437 0.562 . . . . 0.0 112.443 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 44.6 t -61.64 -50.67 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.24 1.016 . . . . 0.0 110.298 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -62.99 -30.32 71.5 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.211 1.004 . . . . 0.0 112.217 176.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 7.9 t60 -68.19 -66.4 0.57 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.926 0.891 . . . . 0.0 110.131 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 6.6 t -55.32 -34.05 63.84 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.873 1.435 . . . . 0.0 114.873 -175.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -71.07 -16.17 62.57 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -122.23 -12.88 5.06 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.119 1.342 . . . . 0.0 115.993 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 38.6 t -58.0 115.82 3.12 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.537 1.535 . . . . 0.0 111.992 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -71.34 -8.37 53.28 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.365 1.466 . . . . 0.0 113.324 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -106.89 -60.97 1.6 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.897 2.079 . . . . 0.0 111.13 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1812 ' ' LYS . . . . . . . . . . . . 0.307 2.7 ptpp? 46.08 -166.39 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 128.441 2.696 . . . . 0.0 114.804 -175.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 40.1 p -56.35 -30.19 62.34 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 120.693 -1.254 . . . . 0.0 113.105 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -60.21 -40.3 89.62 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.04 1.336 . . . . 0.0 112.141 176.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -96.08 -5.3 59.61 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.465 1.507 . . . . 0.0 114.555 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 99.6 13.29 38.44 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.371 1.462 . . . . 0.0 116.552 178.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 33.3 t -58.34 121.49 52.58 Favored Pre-proline 0 CA--C 1.553 1.086 0 CA-C-N 119.423 1.612 . . . . 0.0 111.83 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -66.81 -39.2 15.35 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 123.026 2.484 . . . . 0.0 114.204 -178.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 78.8 t -56.11 -58.48 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 124.602 1.161 . . . . 0.0 111.267 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 32.4 m -52.73 -43.13 65.5 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.708 1.603 . . . . 0.0 111.168 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.84 -46.0 90.64 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.632 1.173 . . . . 0.0 111.292 176.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -58.76 -42.78 89.72 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.294 0.952 . . . . 0.0 111.336 178.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -51.97 61.72 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.383 0.611 . . . . 0.0 111.053 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 53.0 mt -61.92 -30.54 48.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 125.138 1.375 . . . . 0.0 112.514 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.49 90.5 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.012 1.278 . . . . 0.0 111.227 175.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 6.0 mp -70.24 -39.21 75.17 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.338 1.055 . . . . 0.0 111.047 175.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 85.9 m -59.62 -38.3 80.95 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.416 0.553 . . . . 0.0 110.534 173.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 49.2 t -64.8 -51.93 59.56 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.903 1.281 . . . . 0.0 110.935 176.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 35.5 t80 -54.95 -44.96 74.81 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.167 0.587 . . . . 0.0 111.046 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 58.1 t60 -58.14 -60.72 3.3 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.796 0.839 . . . . 0.0 110.414 175.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -55.2 -33.57 63.16 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.533 1.533 . . . . 0.0 114.844 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -56.03 -44.17 78.5 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.821 1.648 . . . . 0.0 110.851 177.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -90.22 -27.63 19.39 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.75 1.62 . . . . 0.0 114.842 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 12.3 t -66.24 165.17 14.37 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.178 1.391 . . . . 0.0 112.994 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -153.16 -3.17 0.21 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.74 2.016 . . . . 0.0 114.783 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -71.85 113.47 8.91 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 120.771 -1.206 . . . . 0.0 111.098 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 31.7 t30 -61.24 -14.04 23.07 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -131.88 28.71 4.5 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.888 2.075 . . . . 0.0 113.534 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 7.8 t -48.73 136.4 13.26 Favored Pre-proline 0 CA--C 1.557 1.236 0 C-N-CA 126.549 1.939 . . . . 0.0 112.1 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -63.51 -23.64 70.75 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 123.41 2.74 . . . . 0.0 114.825 -177.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 95.3 t -69.94 121.81 84.02 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 124.622 1.169 . . . . 0.0 108.963 176.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -64.48 -43.62 13.32 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.718 2.279 . . . . 0.0 114.203 -175.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -70.62 -29.94 66.46 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 40.5 t -46.7 -65.62 0.53 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.6 1.56 . . . . 0.0 111.747 -178.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 58.3 mt -53.03 -38.28 62.27 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.142 1.377 . . . . 0.0 113.617 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -63.57 -51.61 64.64 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.52 0.6 . . . . 0.0 109.73 176.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 11.3 mm -58.15 -46.27 88.46 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-O 118.863 -0.589 . . . . 0.0 110.88 177.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -51.25 -44.66 61.8 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 119.742 1.155 . . . . 0.0 111.771 176.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 53.8 t60 -68.4 -36.51 79.22 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.931 0.892 . . . . 0.0 112.837 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -68.54 -41.28 80.08 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.506 1.523 . . . . 0.0 111.475 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 20.5 mt -56.05 -40.31 73.32 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.288 1.435 . . . . 0.0 111.886 176.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -62.13 -27.2 68.77 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 176.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -75.06 -21.3 59.08 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.453 0.701 . . . . 0.0 112.41 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -78.26 -21.36 49.98 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.825 1.25 . . . . 0.0 113.083 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 . . . . . 0 C--O 1.24 0.585 0 C-N-CA 124.773 1.229 . . . . 0.0 112.048 179.552 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 42.6 m . . . . . 0 CA--C 1.54 0.565 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -68.27 -16.25 63.89 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.641 1.576 . . . . 0.0 114.316 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 3.5 ppp? -145.96 166.56 25.67 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.532 1.933 . . . . 0.0 111.751 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.08 123.4 89.53 Favored Pre-proline 0 CA--C 1.55 0.97 0 C-N-CA 124.131 0.972 . . . . 0.0 111.235 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -66.36 -66.39 0.04 OUTLIER 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.377 2.718 . . . . 0.0 113.045 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -163.71 174.75 11.27 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.389 2.276 . . . . 0.0 110.441 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -145.55 117.74 5.17 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 125.131 1.372 . . . . 0.0 109.365 176.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -49.1 -32.24 23.53 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.716 2.944 . . . . 0.0 115.978 -178.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -73.62 -16.24 61.24 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.535 1.134 . . . . 0.0 113.035 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -60.03 -25.82 65.61 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 120.119 1.327 . . . . 0.0 113.641 -177.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -68.16 -32.55 72.89 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.557 1.143 . . . . 0.0 111.438 176.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.92 -29.11 55.54 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.42 1.088 . . . . 0.0 111.696 175.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 29.8 t -76.92 -49.97 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.261 1.025 . . . . 0.0 110.484 177.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 51.0 m -52.64 -41.49 63.81 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.091 1.756 . . . . 0.0 114.718 -176.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -66.65 -20.98 66.11 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . 0.431 HG21 HD11 ' B' ' 78' ' ' ILE . 10.4 mt -90.26 -55.05 6.66 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 C-N-CA 126.027 1.731 . . . . 0.0 110.043 175.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 16.1 p90 -150.7 100.06 3.12 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 127.93 2.492 . . . . 0.0 111.787 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -78.37 176.57 9.77 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 123.311 2.674 . . . . 0.0 112.154 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -67.02 -29.77 69.68 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.287 -0.883 . . . . 0.0 112.889 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 20.4 m -72.66 -46.53 53.42 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.821 1.785 . . . . 0.0 115.821 -176.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 35.0 m -143.77 162.05 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 124.657 1.183 . . . . 0.0 113.87 -175.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 48.6 tpp -80.5 64.5 5.32 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.922 1.289 . . . . 0.0 110.669 175.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 50.4 tp -56.45 -24.83 48.11 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.839 1.255 . . . . 0.0 113.068 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.04 -18.87 38.69 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.439 1.096 . . . . 0.0 113.55 175.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 2.6 p -72.5 -16.15 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.183 0.902 . . . . 0.0 112.617 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -125.16 -22.79 4.32 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.306 1.442 . . . . 0.0 114.101 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -72.19 155.72 39.93 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.304 1.042 . . . . 0.0 111.994 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -138.73 92.83 0.2 Allowed Glycine 0 CA--C 1.532 1.133 0 C-N-CA 125.813 1.673 . . . . 0.0 112.114 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . 0.431 HD11 HG21 ' B' ' 65' ' ' ILE . 74.0 mt -62.07 119.6 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.292 1.437 . . . . 0.0 110.239 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -80.19 64.84 5.14 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.184 1.394 . . . . 0.0 111.974 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 67.2 tp -49.07 -25.92 2.36 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.392 1.877 . . . . 0.0 114.279 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 54.9 mt -56.58 -16.37 6.0 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.573 1.949 . . . . 0.0 113.376 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.1 t -64.14 -12.77 42.97 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.94 2.096 . . . . 0.0 114.358 176.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -60.84 158.61 31.85 Favored Pre-proline 0 CA--C 1.555 1.171 0 C-N-CA 124.667 1.187 . . . . 0.0 112.379 178.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -69.13 137.6 37.7 Favored 'Trans proline' 0 CA--C 1.546 1.119 0 C-N-CA 122.596 2.197 . . . . 0.0 112.775 -177.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -75.08 174.75 12.26 Favored 'Trans proline' 0 CA--C 1.543 0.939 0 C-N-CA 123.594 2.862 . . . . 0.0 112.903 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.31 157.44 63.77 Favored Pre-proline 0 CA--C 1.554 1.123 0 C-N-CA 124.997 1.319 . . . . 0.0 112.246 177.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -67.86 -14.5 41.63 Favored 'Trans proline' 0 CA--C 1.544 1.021 0 C-N-CA 123.263 2.642 . . . . 0.0 114.211 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -170.61 154.8 23.67 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 126.093 1.806 . . . . 0.0 112.034 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 75.4 m -144.54 160.91 46.3 Favored Pre-proline 0 N--CA 1.477 0.885 0 C-N-CA 125.927 1.691 . . . . 0.0 111.536 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.53 -35.98 98.74 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.741 2.961 . . . . 0.0 115.162 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 . . . . . 0 N--CA 1.478 0.942 0 C-N-CA 127.576 2.35 . . . . 0.0 113.972 -178.833 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 17.9 t . . . . . 0 CA--C 1.539 0.547 0 CA-C-O 119.197 -0.43 . . . . 0.0 112.084 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -66.29 -34.31 36.01 Favored 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 122.687 2.258 . . . . 0.0 111.465 177.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -64.35 -46.02 85.25 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.171 0.989 . . . . 0.0 110.443 176.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -61.14 -51.29 69.71 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.581 0.752 . . . . 0.0 110.196 176.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 23.0 t -53.2 -48.28 68.21 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.567 1.147 . . . . 0.0 111.871 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 36.3 ttp-105 -60.25 -49.88 75.88 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.3 1.44 . . . . 0.0 111.677 176.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -59.58 -41.87 91.22 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.178 0.991 . . . . 0.0 112.158 178.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.48 -42.31 92.37 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.755 1.222 . . . . 0.0 110.71 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 75.0 m -59.81 -47.93 83.73 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.922 0.889 . . . . 0.0 111.225 177.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 49.9 mt -55.51 -60.69 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 125.383 1.473 . . . . 0.0 110.531 177.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -61.42 -36.02 79.17 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.066 1.135 . . . . 0.0 114.066 -178.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -60.8 -55.66 30.43 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.333 1.053 . . . . 0.0 110.146 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 27.3 t -56.09 -38.5 70.79 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 122.984 0.514 . . . . 0.0 111.668 176.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 46.4 mt -60.57 -30.9 47.67 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 C-N-CA 123.911 0.884 . . . . 0.0 112.333 175.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -63.36 -45.9 89.03 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 120.717 1.599 . . . . 0.0 110.223 174.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 22.6 m -61.32 -39.36 90.21 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.808 1.243 . . . . 0.0 111.357 176.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.62 -52.65 63.5 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.214 1.406 . . . . 0.0 110.755 176.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 86.4 t -56.8 -49.55 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-O 118.705 -0.664 . . . . 0.0 109.968 176.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 30.3 t60 -52.53 -57.1 11.01 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.764 0.825 . . . . 0.0 110.535 176.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -55.5 -31.41 62.02 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 87.2 m -76.14 -14.48 60.17 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -120.04 -12.87 9.06 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 8.8 t -61.75 107.3 0.8 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.113 1.765 . . . . 0.0 112.261 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -3.2 20.98 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 -177.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 31.6 t30 -136.4 109.31 7.62 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.611 1.096 . . . . 0.0 112.084 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -57.85 -16.25 11.13 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -88.56 3.53 50.03 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.906 1.683 . . . . 0.0 113.543 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 49.7 t -46.71 124.68 6.33 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.018 2.127 . . . . 0.0 111.542 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 16.4 m -74.79 -2.65 27.58 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 116.395 1.998 . . . . 0.0 116.395 -174.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 12.5 tp -64.96 132.08 95.38 Favored Pre-proline 0 CA--C 1.546 0.789 0 CA-C-N 120.805 1.639 . . . . 0.0 109.294 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -63.51 -35.9 57.41 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 121.959 1.773 . . . . 0.0 113.159 -176.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 16.5 p -72.2 -44.04 63.58 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.803 1.241 . . . . 0.0 113.144 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 43.7 t -57.2 -44.31 83.54 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.481 1.512 . . . . 0.0 113.172 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -61.81 -52.32 64.68 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.587 1.555 . . . . 0.0 110.83 -177.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1798 ' ' LYS . . . . . 0.453 ' HE3' ' HA ' ' B' ' 68' ' ' ASP . 3.3 tppt? -62.4 -50.97 69.41 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.179 1.392 . . . . 0.0 110.655 175.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 63.0 tpp -52.72 -42.73 65.14 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.385 1.074 . . . . 0.0 111.666 177.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -51.95 -42.72 63.07 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.489 1.116 . . . . 0.0 112.983 176.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -60.32 -43.28 96.54 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 119.66 1.118 . . . . 0.0 111.496 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 1.7 t -68.22 -44.16 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.053 0.941 . . . . 0.0 110.962 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 55.4 t -59.09 -44.06 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.757 1.223 . . . . 0.0 110.294 176.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -66.59 -25.96 66.87 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.972 1.309 . . . . 0.0 112.669 176.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 7.3 t60 -69.91 -66.63 0.57 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.897 0.879 . . . . 0.0 109.779 176.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 6.0 t -55.7 -36.35 67.07 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -174.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -66.4 -14.03 61.54 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -134.87 3.39 4.16 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 125.067 1.318 . . . . 0.0 116.093 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 49.7 t -57.81 130.04 44.64 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.031 1.416 . . . . 0.0 112.804 -178.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 99.2 mttt -72.81 -8.17 54.2 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.71 1.604 . . . . 0.0 112.998 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -118.71 -56.28 2.13 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.515 1.926 . . . . 0.0 111.719 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 33.6 tttt 54.05 -174.17 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 127.439 2.295 . . . . 0.0 113.54 -177.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 40.0 p -58.56 -30.1 66.89 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 120.514 -1.366 . . . . 0.0 112.807 177.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -59.5 -40.09 85.93 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.923 1.289 . . . . 0.0 112.02 176.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -93.06 -6.44 63.24 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.096 1.331 . . . . 0.0 114.116 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 97.69 15.16 38.04 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.647 1.594 . . . . 0.0 116.219 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 20.6 t -56.97 119.49 30.96 Favored Pre-proline 0 CA--C 1.552 1.046 0 CA-C-N 119.432 1.616 . . . . 0.0 111.91 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -65.53 -38.82 23.76 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.008 2.472 . . . . 0.0 113.998 -177.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 59.2 t -55.94 -58.02 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-N 119.642 1.11 . . . . 0.0 110.231 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 37.4 m -53.05 -46.17 68.41 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.884 1.674 . . . . 0.0 110.742 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.65 -43.46 72.36 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.868 0.867 . . . . 0.0 112.067 177.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -60.41 -42.97 97.1 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.437 1.017 . . . . 0.0 111.566 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 8.1 mt -66.59 -53.33 35.53 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.037 0.535 . . . . 0.0 111.488 176.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 34.4 mm -57.73 -35.1 49.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 123.998 0.919 . . . . 0.0 112.084 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -58.36 -52.16 66.76 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 119.503 1.047 . . . . 0.0 111.341 175.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 4.6 mp -68.01 -36.26 79.67 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.725 0.81 . . . . 0.0 111.848 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 84.7 m -60.27 -42.31 95.13 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.173 0.897 . . . . 0.0 110.352 172.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 49.0 t -63.92 -49.39 72.8 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.682 1.193 . . . . 0.0 111.141 177.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 29.1 t80 -57.11 -44.81 83.61 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.954 -0.466 . . . . 0.0 111.355 176.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 45.6 t60 -57.97 -57.19 13.9 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.095 0.958 . . . . 0.0 110.336 175.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -54.47 -30.01 51.75 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.565 1.546 . . . . 0.0 114.574 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -55.35 -50.79 68.76 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.713 1.605 . . . . 0.0 110.889 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -90.15 -25.91 20.44 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.651 1.58 . . . . 0.0 114.73 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1834 ' ' CYS . . . . . 0.448 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 9.6 t -62.21 144.1 55.94 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.001 0.92 . . . . 0.0 113.156 -177.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -132.29 -1.36 3.59 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.531 1.933 . . . . 0.0 113.787 -176.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -77.01 115.24 16.63 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.7 -1.25 . . . . 0.0 111.273 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -59.7 -21.9 61.25 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -178.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -127.22 32.85 4.99 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.449 1.9 . . . . 0.0 113.545 -177.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 19.3 t -49.27 135.06 16.52 Favored Pre-proline 0 CA--C 1.56 1.336 0 C-N-CA 126.198 1.799 . . . . 0.0 112.589 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -65.08 -21.72 62.72 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 123.589 2.859 . . . . 0.0 115.564 -176.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 93.6 t -69.43 114.47 24.36 Favored Pre-proline 0 N--CA 1.476 0.862 0 C-N-CA 124.782 1.233 . . . . 0.0 109.396 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -52.46 -44.09 49.63 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 123.611 2.874 . . . . 0.0 115.267 -177.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -78.32 -24.91 46.4 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 -177.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 42.6 t -49.83 -67.56 0.25 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.31 1.444 . . . . 0.0 111.843 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 73.9 mt -51.36 -40.02 58.3 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.344 1.858 . . . . 0.0 113.249 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -63.04 -49.51 74.31 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.003 0.921 . . . . 0.0 110.504 176.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 7.5 mm -58.83 -44.71 91.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-O 118.553 -0.737 . . . . 0.0 110.73 174.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1848 ' ' LYS . . . . . 0.448 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 65.0 mttt -52.7 -44.84 66.58 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 120.018 1.281 . . . . 0.0 111.389 176.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 46.7 t60 -60.23 -51.08 71.07 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 122.846 0.458 . . . . 0.0 110.605 175.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -53.44 -45.43 69.47 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.143 0.977 . . . . 0.0 111.724 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 5.1 mp -57.61 -47.2 82.83 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.831 1.652 . . . . 0.0 111.841 176.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -71.71 -23.32 61.62 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.225 1.01 . . . . 0.0 113.661 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -80.89 -7.61 59.52 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.033 1.733 . . . . 0.0 113.642 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -61.84 158.66 15.42 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.504 1.122 . . . . 0.0 112.903 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 15.2 mm100 . . . . . 0 N--CA 1.474 0.731 0 C-N-CA 127.129 2.172 . . . . 0.0 113.649 179.297 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 43.7 m . . . . . 0 CA--C 1.54 0.588 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -143.95 168.15 20.67 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.982 1.713 . . . . 0.0 112.801 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -78.13 179.45 6.84 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.426 1.49 . . . . 0.0 112.527 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.63 144.18 80.31 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 124.339 1.056 . . . . 0.0 112.082 177.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -75.17 -96.4 0.01 OUTLIER 'Trans proline' 0 CA--C 1.546 1.077 0 C-N-CA 123.679 2.919 . . . . 0.0 111.178 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -162.66 169.03 20.75 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.88 1.672 . . . . 0.0 111.708 177.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -157.65 117.61 1.95 Allowed Pre-proline 0 CA--C 1.543 0.693 0 C-N-CA 126.301 1.84 . . . . 0.0 109.183 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -48.33 -32.93 21.07 Favored 'Trans proline' 0 CA--C 1.537 0.645 0 C-N-CA 123.544 2.829 . . . . 0.0 115.847 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -70.66 -20.06 62.74 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.174 0.989 . . . . 0.0 113.175 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -61.15 -28.01 68.8 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.278 0.945 . . . . 0.0 112.409 -177.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -61.37 -37.66 84.18 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.36 1.464 . . . . 0.0 111.074 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.01 -32.41 24.94 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.926 1.29 . . . . 0.0 112.764 177.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 79.1 t -67.84 -46.04 83.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.219 1.008 . . . . 0.0 110.35 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 32.0 t -46.95 -51.04 17.93 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.9 2.08 . . . . 0.0 114.654 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -64.15 -22.3 66.88 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . 0.405 HG21 HD11 ' B' ' 78' ' ' ILE . 17.3 mt -90.08 -54.59 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.704 1.602 . . . . 0.0 109.978 178.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -153.61 99.32 2.62 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 128.395 2.678 . . . . 0.0 111.474 178.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -80.3 167.44 19.48 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 123.166 2.577 . . . . 0.0 111.765 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . 0.453 ' HA ' ' HE3' ' A' 1798 ' ' LYS . 36.5 t70 -60.77 -20.09 60.68 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 178.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 59.6 p -87.27 -19.26 28.54 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 p -156.39 150.69 9.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 120.512 1.506 . . . . 0.0 114.515 -177.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.65 33.01 0.08 Allowed 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 127.263 2.225 . . . . 0.0 112.94 173.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 51.7 tp -40.17 -24.63 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 127.471 2.309 . . . . 0.0 116.131 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.85 -28.7 16.78 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.653 1.181 . . . . 0.0 112.987 173.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.92 -14.76 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.593 1.157 . . . . 0.0 113.159 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -114.24 -30.33 6.65 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.13 1.772 . . . . 0.0 112.927 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -66.44 163.71 17.84 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.421 1.888 . . . . 0.0 113.824 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.74 82.25 0.16 Allowed Glycine 0 CA--C 1.533 1.175 0 C-N-CA 125.947 1.737 . . . . 0.0 111.889 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . 0.405 HD11 HG21 ' B' ' 65' ' ' ILE . 80.2 mt -55.6 127.74 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.883 1.673 . . . . 0.0 111.528 -179.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -75.06 65.63 1.51 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.843 1.657 . . . . 0.0 113.589 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 65.5 tp -79.81 -24.64 41.25 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 121.127 -0.983 . . . . 0.0 112.082 175.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.525 ' H ' HD12 ' B' ' 81' ' ' LEU . 1.0 OUTLIER -52.31 -34.09 45.28 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 127.563 2.345 . . . . 0.0 114.014 -176.418 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.1 t -76.47 -5.01 45.61 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.791 1.636 . . . . 0.0 114.541 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -104.42 154.6 38.25 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 125.627 1.571 . . . . 0.0 112.093 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -72.92 156.86 52.15 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 122.935 2.423 . . . . 0.0 112.63 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -76.89 -11.4 18.14 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 123.743 2.962 . . . . 0.0 114.408 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -140.61 158.3 66.11 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 126.229 1.812 . . . . 0.0 111.627 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -81.3 -8.77 12.78 Favored 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 123.279 2.653 . . . . 0.0 114.192 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -75.42 -4.13 73.47 Favored Glycine 0 CA--C 1.536 1.399 0 N-CA-C 117.096 1.598 . . . . 0.0 117.096 -176.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 56.1 m -58.5 118.6 29.36 Favored Pre-proline 0 CA--C 1.546 0.806 0 CA-C-N 119.313 1.556 . . . . 0.0 111.956 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -74.48 -14.94 22.37 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 123.204 2.603 . . . . 0.0 114.622 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 . . . . . 0 N--CA 1.471 0.611 0 C-N-CA 125.366 1.466 . . . . 0.0 111.871 -179.871 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 68.6 m . . . . . 0 CA--C 1.54 0.581 0 CA-C-O 119.328 -0.368 . . . . 0.0 111.938 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -50.04 -35.98 43.25 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 124.102 3.202 . . . . 0.0 114.332 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -58.0 -25.59 61.27 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.964 1.306 . . . . 0.0 113.669 177.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -67.34 -59.87 3.05 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.443 -0.786 . . . . 0.0 109.134 175.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 43.9 m -54.28 -41.92 69.44 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.767 1.227 . . . . 0.0 112.126 177.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -57.69 -34.44 69.44 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.479 1.912 . . . . 0.0 113.029 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -88.25 -34.79 17.62 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.671 1.589 . . . . 0.0 111.873 176.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.55 -34.97 79.1 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.948 1.299 . . . . 0.0 112.638 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 79.3 p -63.63 -44.19 94.61 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.098 0.863 . . . . 0.0 111.368 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 73.5 mt -54.81 -63.72 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 125.862 1.665 . . . . 0.0 110.332 176.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -59.44 -36.12 75.32 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -66.41 -51.29 58.48 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 118.987 0.812 . . . . 0.0 110.778 175.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 28.5 t -57.12 -36.87 71.19 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.341 0.656 . . . . 0.0 111.373 176.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 42.3 mt -59.51 -30.11 43.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 121.032 -1.043 . . . . 0.0 112.426 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -62.84 -47.63 82.56 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 120.455 1.48 . . . . 0.0 109.947 174.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 22.0 m -58.81 -41.19 86.21 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.343 1.457 . . . . 0.0 111.243 174.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 5.3 tt -59.42 -52.58 65.01 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.223 1.809 . . . . 0.0 110.45 177.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 83.9 t -56.74 -49.61 77.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.948 0.899 . . . . 0.0 110.416 176.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 22.3 t60 -52.01 -56.87 11.62 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.918 0.781 . . . . 0.0 110.724 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -55.96 -30.15 61.28 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 89.5 m -78.51 -14.13 59.5 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 177.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -119.46 -11.37 9.5 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.603 1.335 . . . . 0.0 114.603 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 8.2 t -59.49 123.73 17.78 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.67 1.588 . . . . 0.0 112.601 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -76.85 -5.87 50.12 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.718 2.007 . . . . 0.0 115.794 -177.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 37.8 t30 -135.9 112.72 10.21 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.031 1.332 . . . . 0.0 112.457 -177.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -58.69 -16.31 15.82 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.69 1.366 . . . . 0.0 114.69 178.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -92.52 0.23 57.41 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.989 1.716 . . . . 0.0 114.432 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 49.1 t -44.93 110.72 0.25 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.906 2.082 . . . . 0.0 112.904 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 99.3 p -72.38 -0.96 13.79 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 -175.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 19.2 tp -61.36 124.43 80.7 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 125.257 1.423 . . . . 0.0 110.467 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -47.55 -42.24 29.25 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 123.498 2.798 . . . . 0.0 114.287 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 33.7 m -58.0 -53.06 62.45 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.574 1.55 . . . . 0.0 112.005 176.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 4.3 t -63.09 -51.52 66.26 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.16 1.784 . . . . 0.0 110.578 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -48.27 -56.33 8.29 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.193 1.797 . . . . 0.0 112.179 176.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 82.3 mttt -60.2 -44.03 95.45 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.213 1.005 . . . . 0.0 111.736 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 14.6 mmt -62.25 -43.47 98.75 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 176.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -47.48 -40.76 19.16 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.368 1.067 . . . . 0.0 112.485 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -61.76 -58.88 6.3 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.179 0.992 . . . . 0.0 111.923 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 19.4 m -63.31 -39.02 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 118.728 0.695 . . . . 0.0 112.598 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 46.2 t -59.22 -49.61 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.826 1.25 . . . . 0.0 110.458 175.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -62.01 -31.68 72.08 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.927 0.891 . . . . 0.0 112.208 176.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.7 t60 -68.96 -63.63 1.02 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.611 0.764 . . . . 0.0 110.82 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 13.0 t -54.79 -31.02 58.4 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 114.673 1.361 . . . . 0.0 114.673 -176.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -77.61 -11.59 59.88 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -134.27 -1.94 3.45 Favored Glycine 0 CA--C 1.538 1.522 0 N-CA-C 117.095 1.598 . . . . 0.0 117.095 -176.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 43.4 t -55.34 136.97 48.76 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.396 1.598 . . . . 0.0 112.331 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -72.24 -11.67 60.82 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.654 1.581 . . . . 0.0 114.136 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -135.21 -32.23 0.95 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 27.6 mtpp 53.61 -168.14 0.06 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.115 1.766 . . . . 0.0 113.611 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 20.2 p -57.96 -32.27 67.69 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.728 1.211 . . . . 0.0 112.145 175.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -58.26 -42.51 86.62 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.1 1.36 . . . . 0.0 111.809 176.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -88.24 -3.44 78.88 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 125.46 1.505 . . . . 0.0 113.955 176.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 93.01 17.91 41.97 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.729 1.633 . . . . 0.0 116.71 176.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 8.1 t -58.84 116.68 16.39 Favored Pre-proline 0 CA--C 1.552 1.026 0 CA-C-N 119.758 1.779 . . . . 0.0 112.744 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -57.45 -42.81 57.51 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 123.207 2.605 . . . . 0.0 113.795 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 59.5 t -55.16 -59.02 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.842 1.257 . . . . 0.0 110.694 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 21.3 m -52.71 -48.72 66.44 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.555 1.542 . . . . 0.0 110.138 177.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1821 ' ' LYS . . . . . 0.409 ' O ' ' HE2' ' A' 1821 ' ' LYS . 0.0 OUTLIER -53.96 -46.36 71.59 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.345 1.058 . . . . 0.0 111.699 177.317 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -60.97 -42.16 97.8 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.322 0.964 . . . . 0.0 111.97 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.62 -50.01 66.61 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.561 0.619 . . . . 0.0 111.072 177.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 41.1 mm -61.18 -32.39 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 124.564 1.146 . . . . 0.0 112.0 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -57.25 -48.17 79.54 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 120.015 1.279 . . . . 0.0 111.239 175.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 6.7 mp -68.66 -39.61 80.57 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.186 0.994 . . . . 0.0 111.207 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 73.4 m -59.69 -38.05 80.5 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 118.877 0.762 . . . . 0.0 110.642 173.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 24.3 t -66.52 -50.67 62.42 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.952 1.301 . . . . 0.0 111.216 176.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 44.5 t80 -55.81 -46.36 78.07 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.258 0.623 . . . . 0.0 110.621 175.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 43.6 t60 -56.74 -63.83 1.07 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.426 1.09 . . . . 0.0 110.05 175.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -50.14 -42.15 50.2 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.762 1.625 . . . . 0.0 114.564 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -56.52 -45.68 80.97 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.509 1.924 . . . . 0.0 111.589 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -90.1 -17.79 27.06 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1834 ' ' CYS . . . . . 0.455 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 11.4 t -68.83 165.1 20.47 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.061 1.745 . . . . 0.0 112.863 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.05 -4.25 0.42 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.005 1.722 . . . . 0.0 115.109 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -74.64 120.0 19.59 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 120.825 -1.172 . . . . 0.0 111.554 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -62.16 -23.51 66.64 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -127.12 33.99 4.81 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 126.686 1.995 . . . . 0.0 113.305 -177.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 10.4 t -49.71 134.35 19.93 Favored Pre-proline 0 CA--C 1.559 1.315 0 C-N-CA 126.135 1.774 . . . . 0.0 112.541 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -65.86 -22.34 56.44 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 123.625 2.883 . . . . 0.0 115.62 -176.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 82.0 t -66.85 115.53 25.9 Favored Pre-proline 0 N--CA 1.477 0.875 0 C-N-CA 124.534 1.133 . . . . 0.0 109.566 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -51.42 -46.42 31.62 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.747 2.965 . . . . 0.0 115.289 -177.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -76.12 -28.51 57.49 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 114.633 1.345 . . . . 0.0 114.633 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 42.4 t -45.84 -67.77 0.25 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.87 1.668 . . . . 0.0 112.3 -177.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 59.6 mt -54.39 -35.59 63.01 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.337 1.455 . . . . 0.0 113.489 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -64.56 -51.12 64.42 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.683 0.674 . . . . 0.0 110.004 175.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 10.0 mm -56.87 -45.82 83.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.754 176.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1848 ' ' LYS . . . . . 0.455 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 67.9 mttt -53.14 -45.46 68.41 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 120.164 1.347 . . . . 0.0 111.657 176.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 56.5 t60 -61.96 -49.87 74.39 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.281 0.633 . . . . 0.0 110.8 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -54.96 -41.23 70.87 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.084 1.354 . . . . 0.0 111.661 176.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.7 mp -63.94 -43.1 96.89 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.659 1.584 . . . . 0.0 111.606 175.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -28.97 67.71 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.528 1.131 . . . . 0.0 113.184 176.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -64.14 -19.59 65.39 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.505 1.048 . . . . 0.0 112.705 176.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -72.19 -15.3 61.95 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.997 1.319 . . . . 0.0 112.698 175.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 11.9 pt20 . . . . . 0 C--O 1.239 0.505 0 C-N-CA 126.919 2.088 . . . . 0.0 111.552 -177.276 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 40.4 m . . . . . 0 CA--C 1.54 0.572 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -144.84 161.05 40.25 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.344 1.858 . . . . 0.0 111.315 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 95.9 mmm -66.34 144.77 56.36 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.492 1.117 . . . . 0.0 110.932 176.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.58 138.37 95.54 Favored Pre-proline 0 CA--C 1.552 1.041 0 C-N-CA 123.737 0.815 . . . . 0.0 112.152 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -72.2 -66.72 0.03 OUTLIER 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 123.495 2.797 . . . . 0.0 112.783 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -162.31 176.14 10.87 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 127.793 2.437 . . . . 0.0 110.608 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -145.9 121.19 5.61 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 125.586 1.555 . . . . 0.0 109.392 177.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -50.6 -30.62 28.93 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 123.539 2.826 . . . . 0.0 115.966 -178.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -77.26 -16.45 59.0 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.549 1.14 . . . . 0.0 113.626 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -59.31 -32.74 70.34 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -175.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -62.0 -33.07 73.65 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.565 1.146 . . . . 0.0 111.659 178.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.69 -22.82 53.41 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.269 1.028 . . . . 0.0 112.421 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 12.2 t -80.64 -48.65 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 123.891 0.876 . . . . 0.0 109.754 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 65.6 m -49.74 -45.37 49.28 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.18 1.792 . . . . 0.0 114.619 -178.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -64.87 -23.64 67.29 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . 0.442 HG21 HD11 ' B' ' 78' ' ' ILE . 10.2 mt -90.14 -55.65 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 126.266 1.826 . . . . 0.0 110.617 176.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -151.09 101.15 3.01 Favored Pre-proline 0 CA--C 1.549 0.916 0 C-N-CA 127.983 2.513 . . . . 0.0 111.392 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -74.52 174.03 13.3 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 122.811 2.34 . . . . 0.0 111.665 177.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -73.32 -18.75 61.16 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 120.923 -1.111 . . . . 0.0 113.154 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 26.9 p -74.57 -51.56 14.27 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.412 1.885 . . . . 0.0 113.876 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 29.0 m -138.71 154.71 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.668 1.587 . . . . 0.0 112.399 -178.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 67.8 mtp -83.08 66.59 8.75 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.492 -0.755 . . . . 0.0 111.257 176.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 32.5 tp -52.16 -22.08 3.92 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.493 1.917 . . . . 0.0 113.363 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.82 -23.27 17.48 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.049 1.34 . . . . 0.0 113.133 174.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 4.6 p -67.92 -17.46 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.481 1.112 . . . . 0.0 112.911 176.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -126.69 -16.96 5.12 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.326 1.45 . . . . 0.0 114.426 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -71.48 160.03 33.45 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.971 1.308 . . . . 0.0 112.413 177.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -144.97 87.14 0.17 Allowed Glycine 0 CA--C 1.534 1.242 0 C-N-CA 125.692 1.615 . . . . 0.0 112.14 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . 0.442 HD11 HG21 ' B' ' 65' ' ' ILE . 85.4 mt -60.81 125.68 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.895 1.678 . . . . 0.0 111.293 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -81.35 65.8 6.63 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.123 1.369 . . . . 0.0 111.913 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 64.6 tp -51.68 -25.48 7.31 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.283 1.833 . . . . 0.0 114.043 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 42.9 mt -56.79 -17.4 9.04 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 127.419 2.287 . . . . 0.0 113.897 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.6 t -67.55 -6.11 18.42 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.893 2.077 . . . . 0.0 115.34 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -60.57 159.55 23.93 Favored Pre-proline 0 CA--C 1.557 1.221 0 C-N-CA 125.198 1.399 . . . . 0.0 112.916 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -71.25 159.47 51.82 Favored 'Trans proline' 0 CA--C 1.546 1.094 0 C-N-CA 122.968 2.445 . . . . 0.0 113.144 -177.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -66.61 -26.98 45.97 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 123.015 2.476 . . . . 0.0 113.996 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -153.15 145.92 17.48 Favored Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 125.365 1.466 . . . . 0.0 111.407 177.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -79.86 -11.89 13.65 Favored 'Trans proline' 0 CA--C 1.546 1.088 0 C-N-CA 123.689 2.926 . . . . 0.0 113.916 178.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -74.64 88.69 0.74 Allowed Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.956 1.741 . . . . 0.0 114.624 -177.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 38.5 t -140.2 125.42 11.36 Favored Pre-proline 0 CA--C 1.541 0.626 0 C-N-CA 125.605 1.562 . . . . 0.0 111.076 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -76.25 -12.66 19.09 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 123.3 2.667 . . . . 0.0 113.562 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 . . . . . 0 C--O 1.239 0.522 0 C-N-CA 125.22 1.408 . . . . 0.0 111.765 -179.197 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 68.6 m . . . . . 0 CA--C 1.542 0.647 0 CA-C-O 119.173 -0.441 . . . . 0.0 111.991 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -62.19 -42.75 27.22 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.594 2.196 . . . . 0.0 112.399 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -60.53 -35.56 76.29 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.78 -0.575 . . . . 0.0 111.836 177.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -65.62 -50.76 63.87 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.417 0.687 . . . . 0.0 110.38 175.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 56.3 m -55.82 -40.56 72.94 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.561 0.744 . . . . 0.0 111.885 176.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -65.32 -45.09 85.68 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.289 1.436 . . . . 0.0 111.174 176.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -60.69 -42.3 96.87 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.424 1.49 . . . . 0.0 111.241 176.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.75 -42.72 94.94 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.364 1.466 . . . . 0.0 110.631 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 73.8 m -59.17 -52.75 64.37 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.659 0.663 . . . . 0.0 110.433 176.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 40.8 mt -52.31 -58.43 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 125.232 1.413 . . . . 0.0 111.289 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -62.23 -40.41 96.04 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -178.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 84.5 mmt-85 -58.75 -45.52 89.55 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 119.831 1.196 . . . . 0.0 111.215 176.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 62.1 m -62.9 -33.15 74.7 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.685 -0.635 . . . . 0.0 111.383 175.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 54.6 mt -69.89 -35.4 64.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.325 1.05 . . . . 0.0 111.82 175.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -59.42 -44.94 92.78 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.461 1.482 . . . . 0.0 109.553 172.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 31.3 t -60.33 -44.85 95.11 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.048 0.939 . . . . 0.0 111.428 174.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 58.1 tp -55.27 -53.43 56.24 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.187 1.395 . . . . 0.0 111.105 177.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 86.4 t -56.08 -51.14 65.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.694 178.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 32.1 t60 -52.43 -57.75 8.88 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.85 0.75 . . . . 0.0 110.929 177.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -56.3 -31.08 63.34 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 87.1 m -77.33 -13.39 59.94 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 177.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -119.34 -14.5 9.2 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 9.2 t -61.76 114.68 3.45 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.856 1.662 . . . . 0.0 112.056 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -70.79 -6.27 36.47 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.75 2.02 . . . . 0.0 116.094 -177.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 32.4 t30 -136.12 111.96 9.5 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.476 1.111 . . . . 0.0 112.402 -177.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.35 -15.56 17.16 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 177.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -92.15 6.97 44.58 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.307 1.843 . . . . 0.0 113.681 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 52.9 t -45.2 129.52 7.88 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.868 2.067 . . . . 0.0 112.147 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 15.7 m -68.41 -8.65 42.35 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 116.213 1.931 . . . . 0.0 116.213 -174.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 13.3 tp -74.53 128.04 86.4 Favored Pre-proline 0 CA--C 1.549 0.92 0 CA-C-N 120.132 1.333 . . . . 0.0 112.035 -177.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -54.24 -43.83 54.98 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.702 2.268 . . . . 0.0 113.023 177.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 16.1 m -61.63 -48.54 80.42 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.065 1.346 . . . . 0.0 112.021 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 34.7 t -56.73 -54.23 48.67 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.154 1.382 . . . . 0.0 109.765 177.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -50.83 -55.09 18.56 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.243 1.417 . . . . 0.0 111.988 176.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -56.38 -49.7 73.69 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.698 1.199 . . . . 0.0 112.15 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 49.3 tpp -61.28 -43.94 98.05 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.669 1.188 . . . . 0.0 112.64 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -50.77 -44.53 58.73 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.442 1.497 . . . . 0.0 113.032 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.58 -47.42 79.58 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.673 0.789 . . . . 0.0 111.732 177.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 1.8 t -69.0 -41.26 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 123.704 0.802 . . . . 0.0 111.676 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 40.8 t -57.01 -47.52 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.795 0.838 . . . . 0.0 109.429 174.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -67.4 -27.87 67.44 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.454 0.702 . . . . 0.0 112.811 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.8 t60 -65.51 -64.69 0.8 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.035 0.834 . . . . 0.0 109.028 173.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 12.2 t -56.75 -31.78 64.92 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -178.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -60.46 -27.2 67.35 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.036 1.734 . . . . 0.0 113.883 176.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -130.53 -1.95 5.03 Favored Glycine 0 CA--C 1.538 1.525 0 N-CA-C 117.453 1.741 . . . . 0.0 117.453 -177.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 49.9 t -55.45 128.14 32.93 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.633 1.716 . . . . 0.0 113.263 -178.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 23.2 tptm -71.87 -16.55 62.14 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.151 1.78 . . . . 0.0 112.708 178.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 58.2 ttm-85 -108.69 -57.26 2.16 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.994 1.718 . . . . 0.0 112.92 -178.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1812 ' ' LYS . . . . . . . . . . . . 0.28 19.0 ptmt 49.07 -170.47 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 128.199 2.6 . . . . 0.0 114.777 -175.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 10.4 p -53.62 -39.63 65.08 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.956 1.302 . . . . 0.0 112.622 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 30.0 t30 -54.82 -34.34 62.67 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.592 1.557 . . . . 0.0 112.99 176.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -104.19 6.65 46.88 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 126.139 1.828 . . . . 0.0 114.296 178.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 84.54 16.03 67.13 Favored Glycine 0 CA--C 1.538 1.47 0 N-CA-C 116.866 1.506 . . . . 0.0 116.866 178.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 18.3 t -59.32 114.93 10.45 Favored Pre-proline 0 CA--C 1.555 1.154 0 CA-C-N 119.726 1.763 . . . . 0.0 112.128 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -58.81 -43.7 41.87 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.106 2.538 . . . . 0.0 113.867 -179.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 52.9 t -54.85 -57.24 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 124.515 1.126 . . . . 0.0 111.404 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 41.7 m -54.87 -48.79 72.51 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.322 1.449 . . . . 0.0 111.142 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.09 -50.21 71.66 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.091 1.356 . . . . 0.0 110.897 176.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -56.8 -44.85 82.33 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.28 1.032 . . . . 0.0 111.575 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.5 -53.07 61.23 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.156 0.889 . . . . 0.0 110.367 176.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 39.6 mt -58.09 -29.34 36.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 126.106 1.763 . . . . 0.0 113.105 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -55.35 -46.75 76.42 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 120.041 1.291 . . . . 0.0 111.791 176.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.53 -38.41 80.84 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.779 1.232 . . . . 0.0 110.804 176.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 68.0 m -59.71 -41.85 91.73 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.865 0.757 . . . . 0.0 111.016 174.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 94.6 m -63.12 -49.82 72.91 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.313 1.045 . . . . 0.0 111.363 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 40.1 t80 -58.96 -45.5 90.34 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.949 0.499 . . . . 0.0 111.12 176.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 39.5 t60 -56.34 -60.54 3.37 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.319 1.048 . . . . 0.0 110.535 176.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -52.21 -38.69 58.7 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.459 1.504 . . . . 0.0 114.677 -178.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -56.98 -44.32 82.55 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.43 1.492 . . . . 0.0 111.36 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -90.09 -20.32 23.3 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1834 ' ' CYS . . . . . 0.492 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 11.4 t -67.55 165.02 17.73 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.516 1.526 . . . . 0.0 113.319 -179.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -149.79 -5.2 0.36 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.119 1.768 . . . . 0.0 115.308 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -75.69 111.17 10.75 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 120.739 -1.225 . . . . 0.0 111.42 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -59.09 -11.35 3.51 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -134.04 28.64 3.8 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 127.168 2.187 . . . . 0.0 112.963 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 12.8 t -47.94 135.51 11.22 Favored Pre-proline 0 CA--C 1.559 1.313 0 C-N-CA 126.612 1.965 . . . . 0.0 113.109 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -65.59 -23.44 57.04 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 123.729 2.953 . . . . 0.0 115.651 -176.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 74.5 t -64.99 116.18 27.58 Favored Pre-proline 0 N--CA 1.476 0.87 0 C-N-CA 124.65 1.18 . . . . 0.0 109.954 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -48.48 -50.33 12.53 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 124.34 3.36 . . . . 0.0 116.164 -176.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -77.91 -24.65 48.27 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 47.1 t -43.33 -68.33 0.2 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.117 1.767 . . . . 0.0 113.168 -176.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 55.3 mt -54.39 -35.62 63.05 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.376 1.47 . . . . 0.0 113.816 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 49.2 t30 -64.25 -49.25 72.63 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.999 0.919 . . . . 0.0 110.126 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 15.0 mm -58.93 -48.66 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 O-C-N 121.751 -0.593 . . . . 0.0 110.582 175.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1848 ' ' LYS . . . . . 0.492 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 70.0 mttt -51.2 -47.79 62.17 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.201 0.909 . . . . 0.0 111.037 177.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 61.2 t60 -56.07 -51.87 66.3 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.507 0.723 . . . . 0.0 110.436 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -55.47 -43.74 75.78 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 118.811 0.732 . . . . 0.0 111.762 176.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 6.2 mp -60.67 -37.15 80.61 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.262 1.425 . . . . 0.0 112.229 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 42.8 mmt-85 -76.85 -30.09 56.16 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 119.486 1.039 . . . . 0.0 113.043 175.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -62.22 -21.49 65.18 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.115 0.966 . . . . 0.0 112.816 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -60.27 -24.89 65.29 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.83 1.652 . . . . 0.0 113.16 177.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 . . . . . 0 N--CA 1.472 0.674 0 C-N-CA 127.403 2.281 . . . . 0.0 113.85 177.753 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 78.2 p . . . . . 0 CA--C 1.542 0.643 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -142.94 159.13 42.83 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.233 1.813 . . . . 0.0 111.527 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 28.3 ptm -74.6 -1.34 21.16 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 116.901 2.186 . . . . 0.0 116.901 -178.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -153.54 151.46 25.41 Favored Pre-proline 0 CA--C 1.548 0.904 0 C-N-CA 125.979 1.712 . . . . 0.0 111.615 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -79.48 -112.92 0.01 OUTLIER 'Trans proline' 0 CA--C 1.549 1.232 0 C-N-CA 123.997 3.132 . . . . 0.0 109.645 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -152.18 167.7 27.69 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.13 1.372 . . . . 0.0 112.058 176.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -156.38 136.56 8.69 Favored Pre-proline 0 CA--C 1.544 0.732 0 C-N-CA 126.209 1.803 . . . . 0.0 110.475 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -64.43 -20.32 66.07 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 122.414 2.076 . . . . 0.0 114.912 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -79.59 -23.12 42.94 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.146 0.884 . . . . 0.0 113.129 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -60.74 -29.36 69.33 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -177.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.69 -45.72 92.8 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.335 1.054 . . . . 0.0 111.306 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.48 -45.75 68.25 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.598 0.759 . . . . 0.0 111.103 176.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 63.3 t -59.26 -40.94 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.67 0.788 . . . . 0.0 111.954 177.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 20.2 t -49.47 -48.78 47.49 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.157 1.783 . . . . 0.0 114.537 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -64.92 -19.6 66.02 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 12.1 mt -90.03 -57.76 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.482 1.513 . . . . 0.0 109.801 175.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.8 p90 -150.24 101.11 3.17 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 127.673 2.389 . . . . 0.0 111.842 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -77.37 173.78 13.76 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 122.656 2.237 . . . . 0.0 110.75 176.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -67.76 -24.82 65.39 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.497 -1.377 . . . . 0.0 113.413 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 23.0 m -69.92 -45.54 67.31 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 -177.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 27.1 m -146.39 159.93 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 125.063 1.345 . . . . 0.0 113.316 -176.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 57.7 tpp -80.18 63.29 4.63 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.627 1.171 . . . . 0.0 110.335 174.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 41.3 tp -53.04 -25.85 13.81 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.753 1.621 . . . . 0.0 113.649 -177.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.76 -22.54 24.69 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.274 1.429 . . . . 0.0 113.802 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.6 p -70.15 -19.4 22.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.621 1.168 . . . . 0.0 112.742 177.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -131.11 -4.27 3.92 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -176.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -129.24 141.26 51.18 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.292 1.437 . . . . 0.0 111.896 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -97.12 -179.63 34.16 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.624 1.583 . . . . 0.0 114.08 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 75.6 mt -117.43 149.13 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.41 1.484 . . . . 0.0 111.22 -178.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -61.45 0.65 0.28 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 128.823 2.849 . . . . 0.0 116.803 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 35.1 tp -55.39 -17.9 5.8 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.491 1.916 . . . . 0.0 114.365 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.12 -36.38 63.2 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.964 1.705 . . . . 0.0 114.349 -177.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.0 t -82.26 -1.26 48.84 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.917 1.287 . . . . 0.0 113.955 -177.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -108.25 157.91 35.12 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 126.584 1.953 . . . . 0.0 111.489 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -64.96 115.31 3.2 Favored 'Trans proline' 0 CA--C 1.548 1.179 0 C-N-CA 123.397 2.731 . . . . 0.0 112.13 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -80.09 173.82 12.2 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 123.49 2.794 . . . . 0.0 112.298 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -144.27 143.77 23.39 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 125.258 1.423 . . . . 0.0 110.961 176.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.12 -4.59 14.48 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 C-N-CA 123.859 3.039 . . . . 0.0 114.018 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -74.82 58.11 2.61 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 126.212 1.863 . . . . 0.0 116.098 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 62.6 m -65.08 152.36 91.54 Favored Pre-proline 0 N--CA 1.473 0.679 0 C-N-CA 125.019 1.327 . . . . 0.0 111.115 176.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.15 -20.68 18.77 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 122.096 1.864 . . . . 0.0 115.098 -176.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 N--CA 1.473 0.714 0 C-N-CA 125.184 1.393 . . . . 0.0 113.71 179.804 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 54.5 m . . . . . 0 CA--C 1.54 0.588 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -63.44 -31.08 72.4 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.618 2.212 . . . . 0.0 112.73 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -58.63 -36.76 74.58 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.834 0.854 . . . . 0.0 111.418 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.2 -51.98 57.61 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.745 0.818 . . . . 0.0 110.408 176.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 50.1 m -55.19 -43.16 74.11 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.012 0.925 . . . . 0.0 111.871 177.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -62.25 -53.07 60.41 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.361 1.464 . . . . 0.0 110.722 175.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1770 ' ' ARG . . . . . 0.402 ' NH1' HE22 ' A' 1774 ' ' GLN . 74.9 ttt-85 -54.73 -43.68 72.86 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.064 1.745 . . . . 0.0 112.059 178.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.9 mp -67.17 -46.49 73.81 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.79 1.236 . . . . 0.0 111.113 177.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 68.5 m -58.2 -46.55 85.62 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.827 0.74 . . . . 0.0 111.246 178.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 55.3 mt -55.67 -63.43 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 126.122 1.769 . . . . 0.0 110.545 177.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . 0.402 HE22 ' NH1' ' A' 1770 ' ' ARG . 4.8 pt20 -61.3 -36.26 79.62 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -177.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -62.81 -53.4 54.82 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.061 0.944 . . . . 0.0 110.517 176.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 18.3 t -58.81 -33.81 70.8 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.227 0.611 . . . . 0.0 112.162 177.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 41.4 mt -64.45 -28.62 45.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 O-C-N 121.168 -0.957 . . . . 0.0 112.086 176.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -63.05 -46.37 87.8 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 120.353 1.433 . . . . 0.0 109.638 174.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 4.3 m -59.51 -40.8 88.26 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.944 1.698 . . . . 0.0 111.327 175.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 63.8 tp -59.28 -54.97 40.72 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.314 1.446 . . . . 0.0 110.529 176.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 94.8 t -55.03 -50.17 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 CA-C-O 118.566 -0.73 . . . . 0.0 110.429 177.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 33.9 t60 -53.32 -58.67 6.28 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.479 0.712 . . . . 0.0 111.285 177.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -56.33 -28.7 59.81 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 96.5 m -78.73 -13.0 60.05 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 177.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -119.99 -12.77 9.09 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.087 1.355 . . . . 0.0 114.29 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 11.6 t -65.04 122.36 16.85 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.628 1.571 . . . . 0.0 111.619 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -74.9 -8.97 58.04 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.329 1.852 . . . . 0.0 115.387 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 31.8 t30 -136.76 113.47 10.26 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.877 1.217 . . . . 0.0 113.131 -176.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.49 -15.41 17.54 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -93.0 8.6 39.21 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 126.44 1.896 . . . . 0.0 113.61 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 51.6 t -45.08 135.75 5.3 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 127.462 2.305 . . . . 0.0 112.686 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 84.7 p -74.24 -10.92 60.08 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -176.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 26.3 tp -72.38 120.77 82.33 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 124.575 1.15 . . . . 0.0 112.012 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.67 -39.7 75.48 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.898 2.399 . . . . 0.0 113.348 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 15.0 m -58.09 -47.6 82.7 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.272 1.429 . . . . 0.0 112.061 178.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 20.9 t -61.37 -54.17 47.17 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.161 1.784 . . . . 0.0 109.5 176.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -50.32 -55.09 17.04 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.498 1.519 . . . . 0.0 112.547 177.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 89.4 mttt -57.94 -49.46 76.69 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.915 0.886 . . . . 0.0 111.862 177.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 44.8 tpp -59.67 -38.37 81.29 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.97 0.908 . . . . 0.0 113.0 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -53.45 -31.11 43.98 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 118.035 -0.983 . . . . 0.0 113.441 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -59.21 -61.81 2.36 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.903 1.229 . . . . 0.0 111.676 177.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 26.7 m -63.83 -33.81 64.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 46.4 t -62.2 -48.65 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.957 0.903 . . . . 0.0 109.932 175.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 66.8 mm-40 -62.78 -30.05 71.17 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.686 1.194 . . . . 0.0 112.252 175.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 11.6 t60 -69.3 -66.05 0.63 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.57 0.748 . . . . 0.0 110.411 175.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 5.1 t -55.36 -33.74 63.68 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -174.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -70.54 -14.26 62.43 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 177.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -128.96 -8.65 3.68 Favored Glycine 0 CA--C 1.538 1.505 0 N-CA-C 116.499 1.36 . . . . 0.0 116.499 -178.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 40.6 t -57.57 138.71 54.95 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.516 1.526 . . . . 0.0 112.754 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -90.57 -6.73 54.32 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.025 1.73 . . . . 0.0 112.915 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -107.5 -53.9 2.56 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.64 1.576 . . . . 0.0 112.566 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 14.7 mmmm 58.14 179.92 0.06 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.719 2.008 . . . . 0.0 113.385 -178.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 19.6 p -59.63 -29.97 68.39 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 120.627 -1.295 . . . . 0.0 112.159 175.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -58.59 -39.24 79.83 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.063 1.345 . . . . 0.0 111.891 175.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -90.94 -5.24 68.38 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 125.267 1.413 . . . . 0.0 113.733 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 93.3 16.09 48.28 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 125.721 1.629 . . . . 0.0 115.756 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 14.0 t -55.5 113.84 6.28 Favored Pre-proline 0 CA--C 1.553 1.085 0 CA-C-N 119.246 1.523 . . . . 0.0 112.518 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -56.24 -44.54 45.56 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 123.235 2.623 . . . . 0.0 113.891 -178.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 58.8 t -55.56 -58.69 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.368 1.067 . . . . 0.0 111.133 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 39.4 m -53.66 -46.1 70.49 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.013 1.325 . . . . 0.0 110.557 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1821 ' ' LYS . . . . . 0.412 ' HE2' ' O ' ' A' 1821 ' ' LYS . 0.0 OUTLIER -54.61 -45.36 73.66 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.458 1.103 . . . . 0.0 111.675 177.131 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -60.4 -38.72 84.86 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.122 0.874 . . . . 0.0 111.967 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 4.4 mt -66.42 -51.45 56.84 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.862 -0.524 . . . . 0.0 110.721 174.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 23.1 mm -56.32 -37.03 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 123.71 0.804 . . . . 0.0 111.919 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -55.32 -51.63 66.12 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.414 1.006 . . . . 0.0 111.591 176.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 4.1 mp -69.51 -39.17 77.74 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.496 1.118 . . . . 0.0 111.854 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 73.4 m -59.51 -39.79 85.01 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.99 0.814 . . . . 0.0 110.603 174.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 35.1 t -65.74 -50.12 65.94 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.737 1.215 . . . . 0.0 111.123 176.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 37.1 t80 -57.38 -40.61 78.56 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.5 0.591 . . . . 0.0 111.398 176.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 54.2 t60 -61.63 -58.55 7.64 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.973 0.909 . . . . 0.0 110.097 174.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -54.42 -28.58 44.91 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.655 1.582 . . . . 0.0 114.618 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -56.97 -47.46 80.72 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.809 1.644 . . . . 0.0 110.932 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 51.5 m80 -90.11 -29.47 18.3 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.93 2.092 . . . . 0.0 114.34 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1834 ' ' CYS . . . . . 0.481 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 8.1 t -66.54 153.74 42.19 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.189 1.396 . . . . 0.0 113.632 -177.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.82 -2.97 0.8 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.565 1.946 . . . . 0.0 114.775 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -71.57 107.08 4.27 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.316 1.446 . . . . 0.0 111.302 178.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -53.68 -16.2 1.54 Allowed 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 116.811 2.152 . . . . 0.0 116.811 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 47.9 mttp -132.21 32.92 3.92 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.677 1.991 . . . . 0.0 112.857 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 32.5 t -49.56 136.34 17.96 Favored Pre-proline 0 CA--C 1.559 1.307 0 C-N-CA 126.463 1.905 . . . . 0.0 112.211 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -64.7 -24.99 61.64 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 123.366 2.711 . . . . 0.0 115.156 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 97.1 t -65.79 122.82 82.68 Favored Pre-proline 0 N--CA 1.474 0.771 0 CA-C-N 119.332 0.969 . . . . 0.0 109.099 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -64.55 -44.84 10.2 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.829 2.353 . . . . 0.0 114.397 -175.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -72.57 -31.06 64.94 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 47.5 t -43.35 -67.02 0.31 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.529 1.931 . . . . 0.0 112.215 -178.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 63.9 mt -52.99 -36.79 60.77 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.506 1.523 . . . . 0.0 113.896 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -65.44 -48.74 71.68 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.909 0.777 . . . . 0.0 110.17 175.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 11.5 mm -58.61 -46.23 90.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-O 119.163 -0.446 . . . . 0.0 110.284 176.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1848 ' ' LYS . . . . . 0.481 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 68.9 mttt -52.3 -45.56 65.59 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.442 1.019 . . . . 0.0 111.688 176.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 24.2 t60 -58.18 -49.03 78.46 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.881 0.764 . . . . 0.0 110.848 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 7.6 mptt -60.06 -27.9 67.34 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.222 1.809 . . . . 0.0 112.802 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.9 mp -85.45 -49.33 8.18 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.384 1.874 . . . . 0.0 113.434 177.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -66.65 -24.22 66.26 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.952 0.901 . . . . 0.0 113.228 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -74.84 -8.82 57.59 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -67.76 -17.67 64.62 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.567 1.147 . . . . 0.0 113.172 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 . . . . . 0 CA--C 1.541 0.598 0 C-N-CA 126.131 1.772 . . . . 0.0 112.254 179.654 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 77.9 p . . . . . 0 CA--C 1.541 0.616 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -68.41 166.62 16.35 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.432 1.493 . . . . 0.0 113.089 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 28.5 ptm -67.32 169.48 8.79 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.883 1.273 . . . . 0.0 113.39 178.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.1 154.43 82.28 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 123.921 0.888 . . . . 0.0 113.087 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -77.42 -179.75 5.73 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 124.236 3.291 . . . . 0.0 106.868 170.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -110.02 164.14 12.89 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 124.021 0.928 . . . . 0.0 111.207 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -158.5 138.96 9.1 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 124.641 1.176 . . . . 0.0 110.845 -178.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -73.3 -17.7 23.97 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.561 2.174 . . . . 0.0 114.779 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -79.96 -33.95 39.14 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -178.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -27.31 61.54 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -177.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -64.4 -43.09 95.52 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.036 1.334 . . . . 0.0 110.971 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.62 -42.48 86.73 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.772 0.829 . . . . 0.0 110.75 175.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 13.7 t -58.09 -44.3 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.313 0.645 . . . . 0.0 110.381 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.2 t -46.89 -49.52 20.19 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.616 1.966 . . . . 0.0 114.6 -178.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -72.75 -15.36 61.66 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 17.8 mt -90.28 -54.73 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.356 1.462 . . . . 0.0 109.486 175.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -154.51 101.11 2.4 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 128.756 2.822 . . . . 0.0 111.947 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -74.45 174.17 13.02 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 122.628 2.219 . . . . 0.0 112.653 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.17 -16.59 62.24 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 -175.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 48.9 m -123.12 0.84 9.12 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 115.632 1.715 . . . . 0.0 115.632 -177.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 9.3 t -140.81 130.33 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 119.734 1.152 . . . . 0.0 111.929 -178.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 52.0 tpp -78.93 51.51 1.14 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.74 1.216 . . . . 0.0 110.292 174.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 51.1 tp -52.1 -25.7 9.38 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 127.365 2.266 . . . . 0.0 113.823 -177.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.46 -18.02 16.28 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.951 1.301 . . . . 0.0 113.527 174.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.7 p -71.3 -17.78 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.491 1.116 . . . . 0.0 112.522 176.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -127.08 -29.78 2.75 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.65 1.58 . . . . 0.0 113.88 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -75.07 147.73 40.37 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.377 1.471 . . . . 0.0 111.21 177.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.65 105.94 0.62 Allowed Glycine 0 CA--C 1.53 1.03 0 C-N-CA 125.171 1.367 . . . . 0.0 112.469 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.63 123.8 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.194 1.398 . . . . 0.0 109.738 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -69.37 31.15 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 127.038 2.135 . . . . 0.0 116.136 -176.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 49.5 tp -56.86 -15.77 5.43 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 125.811 1.644 . . . . 0.0 114.805 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.491 ' H ' HD12 ' B' ' 81' ' ' LEU . 1.0 OUTLIER -60.15 -32.66 71.24 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.723 2.009 . . . . 0.0 113.765 -178.822 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.6 t -71.63 -15.93 62.26 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.341 1.456 . . . . 0.0 114.138 -177.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -80.82 161.89 62.02 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 125.175 1.39 . . . . 0.0 112.607 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.34 144.94 69.75 Favored 'Trans proline' 0 CA--C 1.546 1.11 0 C-N-CA 123.573 2.848 . . . . 0.0 114.162 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -76.2 167.77 25.25 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 123.578 2.852 . . . . 0.0 112.275 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.02 150.44 92.54 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 124.035 0.934 . . . . 0.0 111.632 177.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -65.72 -19.44 59.45 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 123.186 2.591 . . . . 0.0 115.056 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -90.82 4.06 81.53 Favored Glycine 0 CA--C 1.538 1.51 0 C-N-CA 125.076 1.322 . . . . 0.0 114.616 178.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 49.3 m -60.76 120.47 53.5 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 124.976 1.31 . . . . 0.0 112.02 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -74.5 -15.03 22.29 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.151 2.567 . . . . 0.0 114.191 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 . . . . . 0 N--CA 1.472 0.671 0 C-N-CA 125.653 1.581 . . . . 0.0 111.891 -179.887 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 4.5 t . . . . . 0 CA--C 1.541 0.631 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -66.57 -35.34 29.87 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.81 2.34 . . . . 0.0 111.498 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -70.58 -42.19 71.38 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.676 0.79 . . . . 0.0 110.552 176.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.29 -56.46 20.27 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.539 0.735 . . . . 0.0 111.264 177.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 51.3 p -57.12 -39.45 75.16 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -63.15 -47.47 82.57 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.828 1.251 . . . . 0.0 111.458 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -65.12 -32.58 74.35 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.047 1.339 . . . . 0.0 112.128 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 3.2 mp -65.52 -31.28 72.26 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.199 1.0 . . . . 0.0 111.971 176.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 74.8 m -65.02 -43.99 90.63 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.089 -1.007 . . . . 0.0 111.088 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 84.7 mt -55.34 -60.37 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.321 1.449 . . . . 0.0 111.092 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -60.06 -32.43 70.93 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 13.7 mmp_? -64.76 -51.4 62.46 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.148 0.885 . . . . 0.0 110.229 175.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 68.0 m -59.92 -29.24 68.24 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.174 0.589 . . . . 0.0 112.47 176.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 51.2 mt -67.69 -27.64 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 O-C-N 120.998 -1.064 . . . . 0.0 111.57 176.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -63.97 -43.09 96.8 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.882 1.219 . . . . 0.0 109.224 173.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 3.2 m -59.86 -44.3 94.2 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.708 1.603 . . . . 0.0 111.052 175.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 67.2 tp -58.21 -55.9 28.95 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.23 1.412 . . . . 0.0 110.842 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 86.8 t -54.84 -51.93 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-O 118.485 -0.769 . . . . 0.0 110.515 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 31.5 t60 -52.61 -59.03 4.96 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.6 0.76 . . . . 0.0 110.955 177.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -56.45 -28.58 59.96 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 87.2 m -78.59 -14.93 59.09 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -117.39 -15.73 10.31 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.015 1.326 . . . . 0.0 114.26 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 11.7 t -59.54 119.86 8.32 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.502 1.921 . . . . 0.0 111.655 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -77.58 -5.67 51.04 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.97 1.708 . . . . 0.0 115.412 -176.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 33.0 t30 -136.68 110.3 8.04 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.791 1.236 . . . . 0.0 112.357 -177.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -56.65 -17.57 9.21 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -87.51 -1.13 57.73 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.694 1.598 . . . . 0.0 114.026 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 48.6 t -46.02 111.57 0.38 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.997 2.119 . . . . 0.0 111.858 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 89.1 p -70.21 1.0 5.27 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 116.743 2.127 . . . . 0.0 116.743 -174.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 17.4 tp -62.35 123.11 77.25 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 125.029 1.331 . . . . 0.0 109.995 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -47.71 -41.23 31.22 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.739 2.959 . . . . 0.0 115.374 -177.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 12.0 p -68.21 -48.76 64.32 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.001 1.321 . . . . 0.0 112.401 177.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 11.6 t -58.02 -52.06 67.1 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.662 1.585 . . . . 0.0 110.027 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -46.7 -58.38 3.92 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.959 1.703 . . . . 0.0 111.735 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 91.4 mttt -59.78 -50.21 74.69 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.658 1.183 . . . . 0.0 112.107 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 51.0 tpp -60.69 -39.98 90.49 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.276 1.03 . . . . 0.0 113.359 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -52.44 -42.05 63.81 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.489 1.116 . . . . 0.0 113.131 178.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -58.56 -42.21 87.39 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.615 0.766 . . . . 0.0 111.508 177.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 1.4 t -69.84 -42.44 79.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.235 1.014 . . . . 0.0 111.514 178.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 71.5 t -59.24 -44.15 91.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.104 0.962 . . . . 0.0 109.973 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -65.65 -28.6 69.22 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.493 1.117 . . . . 0.0 112.685 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.5 t60 -71.73 -64.1 1.0 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.088 0.955 . . . . 0.0 110.22 176.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 11.1 t -52.92 -36.22 59.35 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 -176.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -70.26 -13.56 62.22 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -133.39 -1.97 3.78 Favored Glycine 0 CA--C 1.536 1.385 0 N-CA-C 116.496 1.358 . . . . 0.0 116.496 -177.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 45.2 t -56.31 127.0 28.76 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.155 1.477 . . . . 0.0 112.779 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -74.25 -6.37 47.48 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.759 1.624 . . . . 0.0 113.191 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -119.32 -55.17 2.16 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.602 1.961 . . . . 0.0 111.933 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1812 ' ' LYS . . . . . 0.427 ' HG2' ' H ' ' A' 1813 ' ' THR . 21.5 tttm 54.91 -175.31 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 127.653 2.381 . . . . 0.0 113.553 -177.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . 0.427 ' H ' ' HG2' ' A' 1812 ' ' LYS . 69.4 p -57.59 -34.73 69.56 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 120.565 -1.334 . . . . 0.0 112.601 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -59.09 -40.58 85.7 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.34 1.456 . . . . 0.0 112.304 177.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -88.28 -6.72 74.1 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 124.857 1.218 . . . . 0.0 114.057 177.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 98.04 14.63 38.76 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.535 1.54 . . . . 0.0 116.156 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 23.1 t -56.24 119.86 30.74 Favored Pre-proline 0 CA--C 1.553 1.064 0 CA-C-N 119.495 1.647 . . . . 0.0 111.268 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -67.0 -37.63 18.61 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.562 2.174 . . . . 0.0 113.282 -176.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 72.4 t -58.01 -58.74 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.066 1.347 . . . . 0.0 110.432 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 57.5 m -53.68 -47.26 70.62 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.748 1.219 . . . . 0.0 110.577 177.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.38 -42.43 77.88 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.457 -0.777 . . . . 0.0 112.791 177.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -65.79 -38.17 88.28 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.154 0.888 . . . . 0.0 111.5 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.66 -52.31 61.27 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.63 -0.668 . . . . 0.0 110.069 176.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 31.1 mm -61.39 -32.83 54.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 124.21 1.004 . . . . 0.0 112.3 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -54.67 -43.42 72.42 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 120.358 1.436 . . . . 0.0 111.925 175.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 5.8 mp -72.0 -35.88 69.59 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.264 1.026 . . . . 0.0 111.324 175.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 84.8 m -60.66 -39.87 89.95 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.954 0.797 . . . . 0.0 110.299 173.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 99.7 m -64.12 -51.63 63.02 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.532 1.133 . . . . 0.0 111.426 175.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 34.5 t80 -57.53 -41.59 81.2 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.532 0.606 . . . . 0.0 111.201 176.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 39.9 t60 -60.27 -60.64 3.49 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.077 0.951 . . . . 0.0 110.304 175.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -53.19 -34.04 55.3 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.623 1.569 . . . . 0.0 114.398 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -56.39 -47.84 78.11 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.792 1.637 . . . . 0.0 111.068 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 43.5 m80 -90.07 -20.72 22.85 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.581 1.952 . . . . 0.0 115.195 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1834 ' ' CYS . . . . . 0.429 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 8.9 t -64.77 165.03 11.14 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.953 1.301 . . . . 0.0 113.831 -177.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -147.91 -2.71 0.54 Allowed 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 -178.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -73.5 142.73 46.75 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 120.193 1.36 . . . . 0.0 112.62 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -77.08 -27.23 54.17 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 121.357 -0.84 . . . . 0.0 111.917 177.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 59.2 mtmt -136.52 50.22 2.05 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.579 1.952 . . . . 0.0 112.283 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 8.7 t -52.3 137.92 38.84 Favored Pre-proline 0 CA--C 1.556 1.176 0 C-N-CA 126.238 1.815 . . . . 0.0 111.97 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -64.87 -24.27 61.24 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 122.971 2.447 . . . . 0.0 114.33 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 92.3 t -67.48 121.51 79.27 Favored Pre-proline 0 N--CA 1.475 0.786 0 C-N-CA 124.385 1.074 . . . . 0.0 108.61 176.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -64.36 -40.12 26.36 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.809 2.339 . . . . 0.0 114.736 -174.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -77.73 -29.05 50.99 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 -178.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 50.2 t -42.6 -67.68 0.25 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.62 1.968 . . . . 0.0 112.852 -177.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 64.6 mt -52.7 -38.02 59.97 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.652 1.581 . . . . 0.0 113.738 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 51.4 t30 -64.88 -48.89 72.6 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.691 -0.631 . . . . 0.0 110.008 175.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 11.1 mm -57.06 -45.95 84.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-O 118.7 -0.667 . . . . 0.0 110.73 177.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1848 ' ' LYS . . . . . 0.429 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 69.0 mttt -52.16 -46.09 65.33 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 119.833 1.197 . . . . 0.0 111.734 176.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 44.7 t60 -61.84 -48.51 80.24 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.383 0.673 . . . . 0.0 110.948 177.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 12.3 mptt -57.0 -34.25 67.96 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.71 1.604 . . . . 0.0 112.246 176.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.2 mp -74.08 -46.43 43.06 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.479 1.911 . . . . 0.0 111.952 175.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -69.24 -27.77 65.75 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -80.57 -4.25 53.33 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -62.11 159.47 14.54 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.557 1.143 . . . . 0.0 113.094 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 6.1 pm0 . . . . . 0 C--O 1.238 0.498 0 C-N-CA 125.95 1.7 . . . . 0.0 112.416 178.641 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 43.8 m . . . . . 0 N--CA 1.471 0.588 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -76.59 66.84 2.64 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.086 1.754 . . . . 0.0 112.096 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.64 167.01 23.09 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.571 1.948 . . . . 0.0 112.151 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.09 135.42 70.17 Favored Pre-proline 0 CA--C 1.55 0.962 0 C-N-CA 124.3 1.04 . . . . 0.0 112.146 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -70.49 -59.34 0.08 OUTLIER 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.349 2.699 . . . . 0.0 112.412 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -163.1 175.87 10.62 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.843 2.457 . . . . 0.0 110.445 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -147.89 112.72 3.91 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 124.594 1.158 . . . . 0.0 110.377 176.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -48.98 -31.77 21.35 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 124.385 3.39 . . . . 0.0 117.004 -177.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -69.36 -19.83 63.84 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.52 -24.89 64.04 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -177.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.78 -42.62 97.73 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.376 1.07 . . . . 0.0 110.642 177.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.96 -47.67 35.82 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.414 1.086 . . . . 0.0 110.125 175.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 57.5 t -53.56 -38.88 35.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 O-C-N 121.297 -0.877 . . . . 0.0 111.436 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 70.9 m -56.36 -29.64 61.65 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -77.32 -22.5 51.8 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 120.428 1.467 . . . . 0.0 112.379 176.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 4.6 mt -90.16 -55.46 6.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 125.817 1.647 . . . . 0.0 110.994 177.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -143.85 88.43 7.68 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 127.561 2.344 . . . . 0.0 111.07 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -71.46 172.27 14.57 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 122.305 2.004 . . . . 0.0 111.801 177.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -64.46 -22.06 66.85 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 121.135 -0.978 . . . . 0.0 113.601 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 27.6 p -78.53 -51.95 9.21 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.153 1.781 . . . . 0.0 115.071 -178.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 35.0 m -142.81 165.69 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -173.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 41.6 ttm -83.71 60.39 5.71 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.648 1.579 . . . . 0.0 109.906 173.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 44.2 tp -48.5 -30.26 5.01 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.347 2.259 . . . . 0.0 115.591 -174.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.2 -16.91 15.5 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 177.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.7 p -70.92 -17.27 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 O-C-N 121.022 -1.048 . . . . 0.0 112.148 175.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -129.68 0.79 4.93 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.551 1.941 . . . . 0.0 114.607 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -135.9 149.95 49.16 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.234 1.814 . . . . 0.0 111.384 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.15 159.45 15.71 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.505 1.05 . . . . 0.0 114.58 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 70.5 mt -98.62 134.45 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 125.956 1.702 . . . . 0.0 110.316 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -79.08 59.86 2.82 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.847 1.659 . . . . 0.0 111.523 175.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 64.9 tp -55.98 -27.24 51.88 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.92 -1.112 . . . . 0.0 110.236 172.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 tp -47.28 -22.23 0.38 Allowed 'General case' 0 CA--C 1.555 1.158 1 C-N-CA 132.507 4.323 . . . . 0.0 112.684 169.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.7 t -65.48 -11.1 40.1 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.153 1.781 . . . . 0.0 115.042 177.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -59.14 163.4 5.98 Favored Pre-proline 0 CA--C 1.557 1.229 0 C-N-CA 124.825 1.25 . . . . 0.0 113.267 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -51.93 142.48 43.03 Favored 'Trans proline' 0 CA--C 1.546 1.12 0 C-N-CA 123.644 2.896 . . . . 0.0 114.791 -178.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -74.46 -9.91 21.8 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 123.69 2.927 . . . . 0.0 114.627 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -135.43 159.48 71.48 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 126.511 1.924 . . . . 0.0 111.684 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -70.92 -13.58 31.85 Favored 'Trans proline' 0 CA--C 1.546 1.079 0 C-N-CA 123.245 2.63 . . . . 0.0 113.743 178.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -122.54 -178.67 15.65 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 127.163 2.316 . . . . 0.0 111.873 176.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 34.2 m -52.67 112.8 3.76 Favored Pre-proline 0 N--CA 1.475 0.802 0 C-N-CA 125.674 1.59 . . . . 0.0 112.285 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -75.48 -12.03 20.61 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 123.055 2.503 . . . . 0.0 114.518 -177.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 . . . . . 0 N--CA 1.472 0.66 0 C-N-CA 125.497 1.519 . . . . 0.0 111.974 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 60.6 m . . . . . 0 CA--C 1.541 0.63 0 CA-C-O 119.11 -0.471 . . . . 0.0 111.929 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -63.48 -40.1 32.84 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.819 2.346 . . . . 0.0 112.661 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -63.18 -34.96 78.77 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.464 -0.772 . . . . 0.0 111.948 176.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -68.76 -55.29 11.77 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.269 1.028 . . . . 0.0 110.794 177.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 89.8 p -57.81 -36.99 72.99 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 118.933 0.788 . . . . 0.0 112.379 178.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 44.1 ttm105 -63.44 -51.3 66.31 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.345 1.458 . . . . 0.0 111.356 175.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 75.2 ttt-85 -58.4 -41.26 84.52 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.016 1.326 . . . . 0.0 111.625 176.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.6 mp -66.41 -43.57 85.4 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.604 1.162 . . . . 0.0 110.86 176.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 67.7 m -58.02 -46.45 85.27 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.451 -0.781 . . . . 0.0 111.264 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 30.3 mt -56.67 -61.11 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 125.014 1.326 . . . . 0.0 110.766 176.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -61.52 -37.25 83.04 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -177.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 15.6 mmp_? -62.37 -49.63 74.78 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.312 0.96 . . . . 0.0 110.282 175.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 14.4 t -58.52 -36.76 74.32 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 122.015 -0.428 . . . . 0.0 111.372 175.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 53.4 mt -66.11 -30.31 49.54 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 C-N-CA 124.071 0.948 . . . . 0.0 112.532 176.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -63.36 -44.79 93.8 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 120.618 1.554 . . . . 0.0 109.599 174.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 17.1 m -59.9 -41.71 92.27 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.068 1.347 . . . . 0.0 111.065 175.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 56.9 tp -58.18 -55.1 39.38 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.482 1.513 . . . . 0.0 110.512 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 92.7 t -55.51 -52.54 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.636 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 31.0 t60 -51.81 -58.8 5.38 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 118.984 0.811 . . . . 0.0 111.204 177.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -58.42 -28.23 65.05 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 85.5 m -78.92 -14.05 59.44 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 177.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -120.04 -4.83 10.06 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.881 1.437 . . . . 0.0 114.881 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 7.3 t -62.89 112.85 2.74 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.703 1.201 . . . . 0.0 113.028 -176.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 47.2 ptt85 -71.86 -5.87 37.61 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 127.115 2.166 . . . . 0.0 115.239 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 32.7 t30 -127.77 107.54 9.97 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.545 1.538 . . . . 0.0 111.744 -178.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.49 -15.12 15.66 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 178.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 11.7 m120 -97.8 6.34 47.97 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.523 1.529 . . . . 0.0 113.72 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 46.9 t -52.62 115.12 1.63 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.889 1.676 . . . . 0.0 110.552 177.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 46.3 m -94.98 18.62 11.66 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.695 1.198 . . . . 0.0 114.154 -175.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 22.0 tp -67.29 125.78 91.56 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.387 1.475 . . . . 0.0 108.902 176.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -47.87 -43.97 28.24 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.37 2.713 . . . . 0.0 115.412 -177.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 5.2 p -63.17 -51.42 66.46 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.26 1.024 . . . . 0.0 111.921 177.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 13.3 t -55.57 -54.37 44.9 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.067 1.747 . . . . 0.0 110.106 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -50.71 -58.83 4.94 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.527 1.931 . . . . 0.0 112.319 176.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 92.7 mttt -59.02 -44.14 91.68 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.68 1.192 . . . . 0.0 112.022 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 48.4 tpp -64.67 -39.22 93.3 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.041 0.936 . . . . 0.0 112.97 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 12.8 mptt -51.99 -36.5 49.93 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.2 -0.938 . . . . 0.0 113.119 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 12.3 mpt_? -55.53 -56.6 18.41 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.194 0.998 . . . . 0.0 112.243 178.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 23.2 m -68.04 -32.49 56.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 47.2 t -61.41 -48.86 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.454 0.702 . . . . 0.0 109.78 175.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -63.73 -27.91 69.53 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.351 1.06 . . . . 0.0 112.321 176.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 13.5 t60 -71.12 -65.22 0.77 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.938 0.895 . . . . 0.0 110.684 176.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 10.0 t -54.43 -34.55 61.61 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -175.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -70.74 -12.56 61.63 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 177.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -130.92 -6.81 3.49 Favored Glycine 0 CA--C 1.538 1.512 0 N-CA-C 116.594 1.397 . . . . 0.0 116.594 -178.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 54.0 t -58.1 139.37 54.86 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.255 1.527 . . . . 0.0 112.492 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 60.3 tttm -88.45 -12.3 43.47 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.391 1.876 . . . . 0.0 112.807 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -105.61 -55.84 2.27 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.97 1.708 . . . . 0.0 112.307 -178.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 45.0 mtpt 54.16 -175.65 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.399 2.28 . . . . 0.0 113.837 -177.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 69.0 p -58.78 -30.88 67.9 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 120.669 -1.269 . . . . 0.0 112.841 179.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -59.02 -39.55 82.24 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.234 1.414 . . . . 0.0 112.007 176.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -91.65 -4.41 67.75 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 125.107 1.337 . . . . 0.0 113.817 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 93.14 16.2 48.37 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 125.497 1.522 . . . . 0.0 115.957 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 17.0 t -54.7 114.06 6.28 Favored Pre-proline 0 CA--C 1.554 1.125 0 CA-C-N 119.226 1.513 . . . . 0.0 112.303 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -56.14 -42.34 67.41 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 123.546 2.831 . . . . 0.0 113.828 -179.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 38.5 t -58.3 -59.53 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.07 1.348 . . . . 0.0 110.278 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 49.6 m -55.23 -47.49 75.27 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.076 1.35 . . . . 0.0 111.018 177.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -55.05 -44.55 74.8 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.302 -0.874 . . . . 0.0 112.94 178.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -64.4 -35.17 80.03 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.661 0.664 . . . . 0.0 112.254 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 4.6 mt -65.9 -50.8 63.17 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.536 0.607 . . . . 0.0 109.901 173.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 24.1 mm -59.35 -36.81 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 118.814 -0.612 . . . . 0.0 111.799 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -57.75 -49.33 76.94 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 119.761 1.164 . . . . 0.0 111.348 176.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.37 -42.31 88.16 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.581 1.152 . . . . 0.0 111.297 176.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 81.4 m -59.66 -40.08 86.53 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.926 0.785 . . . . 0.0 111.043 174.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 49.7 t -64.72 -51.56 61.77 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.138 1.375 . . . . 0.0 110.786 176.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 35.5 t80 -56.71 -41.49 77.53 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.627 0.649 . . . . 0.0 111.397 176.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 56.1 t60 -60.48 -59.28 5.65 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.616 0.766 . . . . 0.0 110.124 174.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -55.22 -28.93 56.59 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.663 1.585 . . . . 0.0 114.676 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -56.59 -46.38 80.85 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.702 1.601 . . . . 0.0 110.686 176.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 49.4 m80 -89.93 -30.17 18.02 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.987 2.115 . . . . 0.0 114.201 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 14.1 t -66.86 165.0 16.16 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.189 1.395 . . . . 0.0 113.303 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -155.87 -2.95 0.13 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.888 2.075 . . . . 0.0 114.768 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -69.23 114.94 7.95 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.827 -1.17 . . . . 0.0 110.968 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -15.76 35.66 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 -177.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -129.63 26.79 5.3 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.486 1.914 . . . . 0.0 113.463 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 10.5 t -47.85 133.97 11.28 Favored Pre-proline 0 CA--C 1.558 1.255 0 C-N-CA 126.422 1.889 . . . . 0.0 112.346 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.34 -24.85 64.38 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.64 2.893 . . . . 0.0 115.484 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 84.3 t -65.46 116.13 28.33 Favored Pre-proline 0 N--CA 1.477 0.875 0 C-N-CA 124.742 1.217 . . . . 0.0 109.994 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -48.54 -52.27 8.79 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 124.241 3.294 . . . . 0.0 116.016 -176.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -78.03 -23.76 48.1 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 114.657 1.355 . . . . 0.0 114.657 -177.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 44.0 t -46.19 -64.74 0.68 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.268 1.427 . . . . 0.0 112.005 -178.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 56.6 mt -53.49 -39.08 64.28 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.882 1.273 . . . . 0.0 114.019 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -62.37 -49.73 74.39 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.434 0.561 . . . . 0.0 109.834 176.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 7.4 mm -59.25 -48.59 86.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-O 119.025 -0.512 . . . . 0.0 110.234 176.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -52.94 -43.93 66.69 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 119.634 1.106 . . . . 0.0 112.082 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 64.0 t60 -62.11 -53.19 58.94 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.282 0.633 . . . . 0.0 110.573 176.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 8.7 mptt -51.05 -43.61 60.97 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.236 1.414 . . . . 0.0 111.212 176.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 3.7 mp -58.4 -30.69 67.04 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.141 1.776 . . . . 0.0 114.671 177.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -93.8 -24.63 17.71 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 119.311 0.96 . . . . 0.0 111.829 176.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -73.74 -40.23 63.67 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.667 1.587 . . . . 0.0 111.823 178.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -68.95 164.11 22.97 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.186 1.394 . . . . 0.0 113.557 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 23.8 mm100 . . . . . 0 N--CA 1.47 0.544 0 C-N-CA 125.024 1.33 . . . . 0.0 111.57 178.353 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 41.4 m . . . . . 0 N--CA 1.471 0.613 0 N-CA-C 114.042 1.126 . . . . 0.0 114.042 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 -143.61 165.01 28.8 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 126.252 1.821 . . . . 0.0 111.531 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 25.6 ptp -150.4 172.09 15.97 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.359 1.463 . . . . 0.0 112.667 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.52 154.06 91.84 Favored Pre-proline 0 CA--C 1.554 1.098 0 C-N-CA 124.169 0.988 . . . . 0.0 112.044 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -67.7 -65.47 0.04 OUTLIER 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 123.401 2.734 . . . . 0.0 112.808 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -162.4 172.89 14.86 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.82 2.048 . . . . 0.0 111.157 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -147.28 118.89 4.63 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 125.793 1.637 . . . . 0.0 109.265 175.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -48.19 -30.62 15.04 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 124.181 3.254 . . . . 0.0 116.642 -177.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -77.38 -17.89 57.8 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -57.95 -33.42 68.83 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -174.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.74 -44.7 89.28 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.313 1.045 . . . . 0.0 111.223 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.87 -26.16 64.99 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.253 1.021 . . . . 0.0 113.331 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 65.3 t -79.41 -48.97 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.542 1.137 . . . . 0.0 110.109 176.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 48.9 m -49.31 -42.38 41.26 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.048 1.739 . . . . 0.0 114.815 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 -64.74 -26.3 68.3 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 8.4 mt -90.01 -55.95 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 126.475 1.91 . . . . 0.0 109.425 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -153.45 102.33 2.57 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 127.545 2.338 . . . . 0.0 113.343 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -78.43 175.27 11.27 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 123.284 2.656 . . . . 0.0 111.347 176.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -77.99 -16.85 57.78 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 120.92 -1.112 . . . . 0.0 113.567 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 23.9 p -77.58 -50.22 13.01 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.23 1.812 . . . . 0.0 114.187 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 35.9 m -139.79 159.02 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.818 1.647 . . . . 0.0 112.921 -177.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 89.7 mmm -80.23 56.57 2.5 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.767 1.227 . . . . 0.0 111.414 176.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 tt -49.67 -31.42 10.97 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.4 1.88 . . . . 0.0 113.003 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.06 -29.22 28.85 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 175.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 1.8 p -62.92 -17.91 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 119.619 1.1 . . . . 0.0 113.814 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -127.06 14.95 7.35 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.867 2.067 . . . . 0.0 113.079 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -131.06 174.99 9.46 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.577 1.951 . . . . 0.0 111.81 -177.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.24 165.75 32.91 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.001 1.286 . . . . 0.0 113.306 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 62.9 mt -122.47 118.05 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 126.076 1.751 . . . . 0.0 108.919 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -74.9 65.57 1.42 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.001 1.32 . . . . 0.0 113.26 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 51.4 tp -74.81 -13.93 60.63 Favored 'General case' 0 CA--C 1.551 1.001 0 O-C-N 120.517 -1.364 . . . . 0.0 112.615 176.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.501 ' H ' HD12 ' B' ' 81' ' ' LEU . 1.0 OUTLIER -68.02 -30.36 69.57 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.936 2.095 . . . . 0.0 114.465 -176.478 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.8 t -76.73 -10.64 59.52 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.141 1.376 . . . . 0.0 114.515 -177.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -74.73 163.37 68.68 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 125.122 1.369 . . . . 0.0 112.853 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.62 152.53 27.09 Favored 'Trans proline' 0 CA--C 1.547 1.157 0 C-N-CA 123.592 2.862 . . . . 0.0 113.155 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . 0.252 0.2 OUTLIER -31.6 101.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.733 1 C-N-CA 126.663 4.909 . . . . 0.0 117.722 -178.61 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.69 157.77 85.12 Favored Pre-proline 0 CA--C 1.55 0.971 0 C-N-CA 129.355 3.062 . . . . 0.0 113.534 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -73.06 -10.56 24.65 Favored 'Trans proline' 0 CA--C 1.546 1.083 0 C-N-CA 123.612 2.875 . . . . 0.0 113.803 178.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -168.75 171.12 42.7 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 127.785 2.612 . . . . 0.0 110.551 178.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 34.1 m -56.66 107.71 0.98 Allowed Pre-proline 0 N--CA 1.475 0.824 0 C-N-CA 126.066 1.746 . . . . 0.0 112.612 -178.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.72 -32.52 94.89 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 123.447 2.764 . . . . 0.0 114.997 -178.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 N--CA 1.47 0.573 0 C-N-CA 125.385 1.474 . . . . 0.0 112.302 179.08 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 CA--C 1.541 0.62 0 CA-C-O 119.071 -0.49 . . . . 0.0 111.93 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -62.2 -40.41 41.62 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.509 2.139 . . . . 0.0 111.992 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -59.55 -34.96 73.32 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.084 0.553 . . . . 0.0 112.458 176.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -67.45 -50.18 60.37 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.377 0.671 . . . . 0.0 110.006 176.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 49.6 m -54.63 -43.19 72.08 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.862 0.865 . . . . 0.0 111.65 177.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -62.82 -54.07 44.56 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.729 1.212 . . . . 0.0 110.763 175.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -56.51 -37.97 71.15 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.716 1.206 . . . . 0.0 112.502 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 37.3 mt -66.79 -41.99 86.73 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.24 1.416 . . . . 0.0 111.068 176.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 48.6 p -62.5 -39.62 94.08 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.214 0.915 . . . . 0.0 111.644 178.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 79.3 mt -58.8 -63.99 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 125.482 1.513 . . . . 0.0 110.112 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -60.16 -33.59 72.4 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -178.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -66.36 -51.46 56.95 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.757 0.823 . . . . 0.0 110.743 175.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 23.0 t -58.01 -34.75 70.35 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 118.524 0.602 . . . . 0.0 111.501 176.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 50.8 mt -62.05 -28.07 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 O-C-N 121.005 -1.059 . . . . 0.0 112.452 176.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -63.32 -46.07 88.34 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.379 1.445 . . . . 0.0 109.559 174.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 9.0 m -59.7 -40.75 88.97 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.773 1.629 . . . . 0.0 111.184 175.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.19 -54.62 44.89 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.337 1.455 . . . . 0.0 110.648 176.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 91.8 t -55.61 -50.46 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-O 118.428 -0.796 . . . . 0.0 110.45 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 27.2 t60 -52.57 -58.22 7.48 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.789 0.722 . . . . 0.0 111.012 177.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -56.55 -29.5 62.03 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 91.3 m -78.3 -14.15 59.54 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -120.04 -12.96 9.04 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 8.7 t -58.87 124.22 19.11 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.78 1.632 . . . . 0.0 112.175 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -78.73 -14.09 59.47 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.785 2.034 . . . . 0.0 115.407 -175.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 29.1 t30 -131.37 113.01 13.24 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.868 1.267 . . . . 0.0 112.702 -176.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -58.97 -15.89 15.26 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -92.11 6.93 44.69 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.144 1.777 . . . . 0.0 113.691 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 44.4 t -44.74 130.43 7.06 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 127.204 2.202 . . . . 0.0 113.0 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 20.2 m -75.43 -9.35 58.49 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 -176.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 16.9 tp -71.7 122.38 87.07 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 124.506 1.123 . . . . 0.0 112.373 -177.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.92 -41.79 61.54 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 123.147 2.564 . . . . 0.0 113.321 177.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 70.4 m -57.2 -49.06 77.17 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.328 1.451 . . . . 0.0 112.135 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 25.2 t -60.98 -56.3 22.73 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.924 1.69 . . . . 0.0 109.909 177.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -51.14 -52.06 47.55 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.566 1.546 . . . . 0.0 113.129 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -64.26 -45.43 88.12 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.29 1.036 . . . . 0.0 111.736 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 46.8 tpp -60.29 -39.5 87.15 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.962 0.905 . . . . 0.0 112.317 176.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -52.51 -34.77 51.18 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.108 0.963 . . . . 0.0 113.475 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -58.65 -58.51 8.24 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-N 119.9 1.227 . . . . 0.0 111.942 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 27.0 m -65.97 -33.9 66.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 118.306 0.503 . . . . 0.0 112.333 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 43.7 t -62.71 -47.22 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.841 0.856 . . . . 0.0 110.199 175.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -63.0 -30.02 71.27 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.439 1.096 . . . . 0.0 112.098 175.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 9.6 t60 -67.27 -65.28 0.7 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.495 0.718 . . . . 0.0 109.988 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 9.3 t -55.57 -34.75 65.05 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -175.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -72.81 -16.23 61.62 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -116.13 -9.13 12.29 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 125.702 1.62 . . . . 0.0 115.704 -178.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 9.5 t -64.81 168.98 5.56 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.728 1.611 . . . . 0.0 112.604 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -122.91 3.0 9.43 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.461 2.304 . . . . 0.0 112.812 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -130.02 179.85 5.63 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 128.836 2.854 . . . . 0.0 109.405 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1812 ' ' LYS . . . . . 0.429 ' HG3' ' H ' ' A' 1813 ' ' THR . 10.2 tptm -162.45 -172.25 3.09 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 126.189 1.796 . . . . 0.0 110.762 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . 0.429 ' H ' ' HG3' ' A' 1812 ' ' LYS . 22.8 p -51.32 -47.48 62.65 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.589 1.956 . . . . 0.0 112.336 176.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 40.7 t30 -61.66 -32.27 72.43 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.208 1.403 . . . . 0.0 112.875 178.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -86.66 -23.22 43.51 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 124.734 1.159 . . . . 0.0 113.377 177.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 107.23 10.56 27.48 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 126.236 1.874 . . . . 0.0 116.946 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 9.6 t -61.24 111.03 3.59 Favored Pre-proline 0 CA--C 1.551 0.995 0 CA-C-N 120.31 2.055 . . . . 0.0 111.647 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -59.7 -47.67 15.36 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.84 2.36 . . . . 0.0 113.911 -177.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 42.8 t -56.64 -56.45 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 CA-C-N 119.162 0.892 . . . . 0.0 111.364 -178.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 62.1 m -54.63 -45.66 73.79 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.484 1.114 . . . . 0.0 110.442 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -55.8 -42.61 75.87 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.122 0.969 . . . . 0.0 112.642 177.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -61.31 -43.91 98.09 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.202 0.91 . . . . 0.0 111.166 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 6.3 mt -63.95 -53.92 42.68 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.982 0.513 . . . . 0.0 111.601 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 37.3 mm -56.4 -36.17 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.794 0.838 . . . . 0.0 112.431 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -58.34 -48.07 81.75 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.728 1.149 . . . . 0.0 111.678 175.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.85 -42.32 81.53 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.738 1.215 . . . . 0.0 111.283 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 97.6 m -58.55 -40.09 82.04 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.296 0.953 . . . . 0.0 110.909 174.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 49.3 t -64.16 -51.96 61.34 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.196 0.998 . . . . 0.0 111.116 176.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 32.7 t80 -56.16 -42.89 77.72 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.465 0.706 . . . . 0.0 111.309 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 44.4 t60 -58.97 -59.46 5.43 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.126 0.97 . . . . 0.0 110.147 175.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -54.12 -32.62 55.57 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.379 1.472 . . . . 0.0 114.644 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -56.28 -46.5 79.71 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.907 1.683 . . . . 0.0 111.114 177.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 47.6 m80 -90.24 -26.04 20.27 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.55 1.94 . . . . 0.0 114.634 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1834 ' ' CYS . . . . . 0.431 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 9.1 t -64.42 151.26 44.61 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.723 1.209 . . . . 0.0 113.602 -177.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -138.07 -1.36 1.97 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.409 1.884 . . . . 0.0 114.145 -178.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -73.74 134.31 43.46 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 120.646 -1.284 . . . . 0.0 112.133 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 31.0 t30 -71.41 -24.76 62.11 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -178.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -135.2 45.76 2.47 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 126.804 2.042 . . . . 0.0 112.03 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 25.8 t -53.66 136.89 53.63 Favored Pre-proline 0 CA--C 1.559 1.297 0 C-N-CA 125.703 1.601 . . . . 0.0 112.659 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -65.48 -25.03 55.97 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 123.474 2.782 . . . . 0.0 114.796 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 82.3 t -65.24 125.66 89.82 Favored Pre-proline 0 N--CA 1.476 0.864 0 CA-C-N 119.357 0.981 . . . . 0.0 109.211 178.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -62.8 -48.28 7.22 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.116 2.544 . . . . 0.0 115.104 -174.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -76.77 -24.44 52.9 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -177.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 53.0 t -41.99 -67.73 0.24 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.501 1.92 . . . . 0.0 113.145 -177.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 1.1 mp -52.35 -40.66 62.25 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.227 1.411 . . . . 0.0 113.846 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -62.19 -48.38 80.29 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.847 0.459 . . . . 0.0 110.265 176.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 10.7 mm -57.96 -47.22 87.09 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 118.531 -0.747 . . . . 0.0 110.516 176.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1848 ' ' LYS . . . . . 0.431 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 65.6 mttt -52.59 -46.5 66.96 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 120.004 1.275 . . . . 0.0 111.614 177.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 55.9 t60 -60.77 -45.7 93.35 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.969 0.907 . . . . 0.0 111.604 177.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -60.11 -46.36 89.88 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.395 1.478 . . . . 0.0 111.211 175.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.5 mp -58.28 -38.15 76.42 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.902 1.681 . . . . 0.0 112.191 176.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -65.65 -22.64 66.66 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.278 1.031 . . . . 0.0 113.739 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -72.72 -14.06 61.47 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -68.48 -17.17 64.12 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.676 1.19 . . . . 0.0 113.402 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 . . . . . 0 C--O 1.24 0.565 0 C-N-CA 125.746 1.618 . . . . 0.0 112.283 179.765 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 40.7 m . . . . . 0 CA--C 1.541 0.602 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -142.04 176.67 8.77 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.572 1.949 . . . . 0.0 112.159 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 95.3 mtp -131.1 170.79 14.06 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.054 1.742 . . . . 0.0 111.545 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.96 156.86 78.78 Favored Pre-proline 0 CA--C 1.547 0.847 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -77.26 -179.62 5.61 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 124.694 3.596 . . . . 0.0 106.763 169.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -114.91 165.62 12.67 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 124.361 1.064 . . . . 0.0 110.609 175.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -152.31 120.7 3.26 Favored Pre-proline 0 CA--C 1.545 0.766 0 C-N-CA 124.42 1.088 . . . . 0.0 110.307 -177.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -51.04 -29.85 29.22 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.505 2.804 . . . . 0.0 115.843 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -71.96 -21.31 61.61 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.097 0.959 . . . . 0.0 113.042 178.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -60.7 -29.51 69.37 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 120.039 1.29 . . . . 0.0 113.723 -176.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -64.41 -35.82 82.15 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.408 1.083 . . . . 0.0 111.246 176.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.58 -31.78 63.79 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.123 0.969 . . . . 0.0 111.629 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 28.8 t -71.29 -46.44 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-N 118.608 0.64 . . . . 0.0 109.608 175.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 8.6 t -47.18 -51.91 17.09 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.437 2.295 . . . . 0.0 114.536 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -64.48 -21.15 66.58 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 13.1 mt -90.24 -53.92 8.37 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 C-N-CA 125.645 1.578 . . . . 0.0 109.981 176.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -153.03 102.83 2.64 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 128.06 2.544 . . . . 0.0 111.099 177.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -77.21 175.14 11.71 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 122.83 2.354 . . . . 0.0 112.33 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -65.35 -26.36 67.99 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.06 -1.025 . . . . 0.0 112.971 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 19.0 m -69.81 -47.32 63.25 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.608 1.563 . . . . 0.0 114.812 -178.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 29.8 m -146.14 158.41 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 125.181 1.392 . . . . 0.0 113.297 -176.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 51.0 ttm -79.47 64.92 4.49 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.599 1.159 . . . . 0.0 110.191 174.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 17.9 tp -55.28 -21.58 15.18 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.142 1.377 . . . . 0.0 113.088 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.28 -22.14 17.38 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.199 1.4 . . . . 0.0 113.415 174.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.3 p -72.6 -13.99 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.05 0.94 . . . . 0.0 112.944 176.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -128.19 -22.83 3.37 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.412 1.485 . . . . 0.0 114.193 178.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -72.29 161.34 30.98 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.047 1.339 . . . . 0.0 111.678 176.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.59 96.29 0.17 Allowed Glycine 0 CA--C 1.531 1.07 0 C-N-CA 125.01 1.29 . . . . 0.0 112.839 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 67.8 mt -63.55 103.73 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.658 1.583 . . . . 0.0 109.469 178.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -77.58 59.3 1.93 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.178 1.391 . . . . 0.0 112.607 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 tt -49.63 -29.91 8.02 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.17 1.788 . . . . 0.0 113.425 -178.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 65.8 mt -50.5 -20.43 1.15 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.229 2.212 . . . . 0.0 113.762 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.2 t -62.38 -17.99 60.45 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.226 2.211 . . . . 0.0 113.902 174.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -57.6 147.7 59.52 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 124.581 1.152 . . . . 0.0 113.765 -176.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.53 167.34 24.42 Favored 'Trans proline' 0 CA--C 1.548 1.204 0 C-N-CA 123.259 2.639 . . . . 0.0 112.838 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -50.51 -28.98 23.11 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 124.402 3.401 . . . . 0.0 115.303 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -136.08 118.46 12.03 Favored Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 126.989 2.116 . . . . 0.0 108.278 175.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -65.47 -4.71 10.01 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.569 2.846 . . . . 0.0 115.462 -176.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -92.77 -8.63 61.9 Favored Glycine 0 CA--C 1.541 1.673 0 C-N-CA 125.102 1.334 . . . . 0.0 114.06 175.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 72.4 m -73.1 151.75 90.44 Favored Pre-proline 0 N--CA 1.473 0.697 0 CA-C-N 118.824 1.312 . . . . 0.0 111.993 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -74.99 -3.43 13.92 Favored 'Trans proline' 0 CA--C 1.545 1.034 0 C-N-CA 123.253 2.636 . . . . 0.0 115.183 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 . . . . . 0 CA--C 1.544 0.736 0 C-N-CA 125.929 1.691 . . . . 0.0 113.075 -178.24 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 27.6 t . . . . . 0 CA--C 1.541 0.617 0 CA-C-O 118.947 -0.549 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -50.08 -42.46 45.91 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.871 3.047 . . . . 0.0 113.887 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -60.85 -43.09 98.8 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.784 0.833 . . . . 0.0 111.897 177.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -66.37 -46.04 78.04 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.617 0.767 . . . . 0.0 110.887 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 62.8 m -54.84 -45.17 74.44 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.952 0.901 . . . . 0.0 110.968 176.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -63.1 -49.88 72.7 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.394 1.078 . . . . 0.0 111.433 175.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 30.7 ttm-85 -53.02 -45.19 67.86 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.213 1.405 . . . . 0.0 112.257 177.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 8.5 mp -70.06 -43.45 71.17 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.03 1.332 . . . . 0.0 111.476 177.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 57.7 m -62.75 -41.55 99.25 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.36 -0.837 . . . . 0.0 111.569 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 40.4 mt -55.39 -62.37 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 125.512 1.525 . . . . 0.0 109.911 176.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -60.17 -44.85 94.72 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -57.9 -47.04 83.99 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.074 0.852 . . . . 0.0 111.478 176.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 26.6 t -61.65 -38.48 87.86 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 122.825 0.45 . . . . 0.0 111.04 175.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 51.5 mt -63.72 -37.53 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.363 1.065 . . . . 0.0 112.249 177.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -58.28 -44.12 88.33 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 120.455 1.48 . . . . 0.0 110.095 174.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 25.1 m -65.14 -36.47 84.37 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.916 0.886 . . . . 0.0 112.138 175.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.02 -52.85 63.63 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.056 1.742 . . . . 0.0 109.512 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 90.4 t -56.71 -50.71 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.877 0.871 . . . . 0.0 110.226 176.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 34.0 t60 -52.1 -58.0 7.88 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.735 0.814 . . . . 0.0 111.03 177.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -55.73 -30.38 61.11 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 89.0 m -74.22 -15.09 61.01 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 177.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -119.84 -15.13 8.9 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.181 1.392 . . . . 0.0 114.134 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 15.5 t -60.83 119.1 7.55 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.39 1.876 . . . . 0.0 111.678 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -74.06 -8.5 56.35 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 126.429 1.892 . . . . 0.0 115.683 -175.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 25.8 t30 -140.35 115.02 9.49 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.472 1.109 . . . . 0.0 112.722 -176.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.75 -15.46 20.28 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 177.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -93.53 11.28 29.18 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 126.564 1.946 . . . . 0.0 113.538 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 52.9 t -44.88 138.15 3.7 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 127.564 2.346 . . . . 0.0 112.969 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 78.9 p -73.48 -5.36 39.58 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 -176.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 27.0 tp -77.8 119.15 76.28 Favored Pre-proline 0 CA--C 1.549 0.937 0 CA-C-N 120.312 1.414 . . . . 0.0 110.829 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.11 -42.15 39.68 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 123.356 2.704 . . . . 0.0 114.899 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 91.1 p -70.8 -37.15 73.26 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 49.7 t -59.38 -50.14 75.1 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.433 1.493 . . . . 0.0 109.776 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -49.19 -50.09 39.64 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.546 1.538 . . . . 0.0 111.977 176.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -66.08 -50.73 63.08 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.51 1.124 . . . . 0.0 111.821 177.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 57.4 tpp -54.37 -40.99 68.65 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.011 1.324 . . . . 0.0 113.077 178.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -51.97 -37.33 52.6 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.049 0.939 . . . . 0.0 113.223 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -60.73 -57.64 11.84 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.557 1.071 . . . . 0.0 111.848 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 17.8 m -62.4 -36.94 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 118.523 0.601 . . . . 0.0 112.196 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 44.9 t -61.24 -50.94 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.007 0.923 . . . . 0.0 110.332 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -63.01 -29.54 70.9 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.188 0.995 . . . . 0.0 112.405 176.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.4 t60 -68.54 -66.95 0.51 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.157 0.983 . . . . 0.0 110.0 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 2.8 t -56.7 -33.22 66.25 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 -174.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -69.35 -14.08 62.72 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -133.28 0.36 4.31 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 124.953 1.263 . . . . 0.0 116.154 -178.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 49.6 t -56.01 129.98 42.03 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.026 1.413 . . . . 0.0 112.732 -178.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -72.86 -7.18 49.63 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.598 1.559 . . . . 0.0 113.032 178.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -119.95 -55.54 2.07 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.731 2.013 . . . . 0.0 111.769 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1812 ' ' LYS . . . . . 0.46 ' HG2' ' H ' ' A' 1813 ' ' THR . 22.5 tttm 54.4 -175.69 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 127.596 2.358 . . . . 0.0 113.536 -177.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . 0.46 ' H ' ' HG2' ' A' 1812 ' ' LYS . 81.2 p -57.67 -32.94 67.82 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 120.34 -1.475 . . . . 0.0 112.601 178.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 38.1 t30 -58.5 -40.0 81.6 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.408 1.483 . . . . 0.0 112.267 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -91.28 -5.44 67.46 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 125.065 1.317 . . . . 0.0 113.866 177.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 97.02 14.8 41.23 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.622 1.582 . . . . 0.0 116.122 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 25.3 t -56.76 119.25 28.28 Favored Pre-proline 0 CA--C 1.552 1.023 0 CA-C-N 119.432 1.616 . . . . 0.0 111.761 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -65.06 -38.21 29.34 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.941 2.427 . . . . 0.0 113.739 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 64.5 t -58.46 -57.69 9.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.248 1.019 . . . . 0.0 110.34 178.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 56.6 m -53.78 -45.58 70.73 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.372 1.469 . . . . 0.0 110.642 177.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -40.81 74.18 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 118.208 -0.901 . . . . 0.0 112.233 177.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -62.94 -44.91 94.79 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.666 1.121 . . . . 0.0 111.426 177.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.79 -50.1 68.11 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 122.933 0.493 . . . . 0.0 111.755 178.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 39.7 mm -64.19 -31.52 53.7 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 124.158 0.983 . . . . 0.0 112.034 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -58.88 -49.24 78.51 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 120.371 1.441 . . . . 0.0 110.584 174.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.81 -42.6 97.65 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.525 1.13 . . . . 0.0 110.827 175.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 11.0 t -59.79 -35.78 75.36 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 118.649 0.659 . . . . 0.0 111.676 174.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 37.1 t -67.92 -49.1 63.84 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.32 1.048 . . . . 0.0 110.645 176.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 24.7 t80 -57.5 -37.54 73.15 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.242 0.617 . . . . 0.0 111.199 175.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 41.7 t60 -64.29 -63.17 1.21 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.526 1.13 . . . . 0.0 109.955 173.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -50.74 -37.03 39.44 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.409 1.883 . . . . 0.0 114.588 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -55.51 -46.78 76.93 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 126.364 1.865 . . . . 0.0 111.494 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 32.7 m80 -90.02 -24.71 21.14 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.321 1.448 . . . . 0.0 114.232 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1834 ' ' CYS . . . . . 0.45 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 14.4 t -64.31 151.27 44.29 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.74 1.616 . . . . 0.0 112.994 -178.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -136.49 -3.77 2.11 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.075 1.75 . . . . 0.0 114.311 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -76.12 115.45 15.85 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.715 -1.241 . . . . 0.0 111.687 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 36.9 t30 -61.39 -17.55 54.62 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -131.72 35.78 3.77 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.88 2.072 . . . . 0.0 113.038 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 18.0 t -50.54 135.45 25.34 Favored Pre-proline 0 CA--C 1.559 1.321 0 C-N-CA 126.206 1.803 . . . . 0.0 112.432 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -66.16 -19.43 56.82 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 123.67 2.913 . . . . 0.0 115.627 -177.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 74.8 t -68.56 117.51 51.04 Favored Pre-proline 0 N--CA 1.475 0.818 0 C-N-CA 124.394 1.078 . . . . 0.0 109.709 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -48.74 -51.32 10.61 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 124.297 3.331 . . . . 0.0 116.378 -176.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -81.36 -23.1 37.93 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -176.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 48.6 t -42.58 -65.21 0.5 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.331 1.853 . . . . 0.0 112.815 -177.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 58.6 mt -54.33 -37.09 64.47 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.343 1.457 . . . . 0.0 113.573 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 55.1 t30 -65.91 -46.77 77.04 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 118.627 0.649 . . . . 0.0 110.207 175.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 11.4 mm -58.06 -47.48 86.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-O 118.704 -0.665 . . . . 0.0 110.401 176.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1848 ' ' LYS . . . . . 0.45 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 69.7 mttt -52.29 -46.23 65.84 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 119.724 1.147 . . . . 0.0 111.549 176.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 50.5 t60 -60.37 -51.41 69.61 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.559 0.744 . . . . 0.0 110.746 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 11.1 mptt -54.24 -42.4 69.84 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.203 1.401 . . . . 0.0 111.66 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.7 mp -62.57 -46.18 89.51 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.915 1.686 . . . . 0.0 112.07 176.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -68.7 -28.73 67.1 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.864 0.866 . . . . 0.0 113.203 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -70.09 -12.73 61.81 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.555 1.142 . . . . 0.0 113.693 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -65.46 -22.02 66.7 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.381 1.072 . . . . 0.0 113.182 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 22.1 mm100 . . . . . 0 C--O 1.24 0.57 0 C-N-CA 125.437 1.495 . . . . 0.0 111.414 179.347 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 CA--C 1.54 0.573 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -69.22 166.41 18.45 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.39 1.076 . . . . 0.0 112.809 178.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 64.2 mtt -113.83 26.16 10.59 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.427 1.891 . . . . 0.0 111.851 178.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.63 151.64 50.75 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 126.311 1.844 . . . . 0.0 114.561 -178.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -80.72 -119.97 0.01 OUTLIER 'Trans proline' 0 CA--C 1.55 1.306 0 C-N-CA 124.449 3.433 . . . . 0.0 109.383 175.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -150.35 168.16 24.92 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.378 1.471 . . . . 0.0 111.967 176.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -155.48 152.23 24.1 Favored Pre-proline 0 CA--C 1.542 0.641 0 C-N-CA 126.16 1.784 . . . . 0.0 110.366 177.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -71.74 -7.57 21.41 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.378 2.052 . . . . 0.0 114.906 -176.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -95.36 -11.64 27.41 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.56 -34.79 74.68 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.139 -0.975 . . . . 0.0 112.957 -176.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -72.03 -33.26 67.88 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.586 1.154 . . . . 0.0 111.672 176.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.71 -43.6 68.64 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.368 1.067 . . . . 0.0 111.432 177.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 33.1 m -73.01 -37.53 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 119.142 0.883 . . . . 0.0 111.906 176.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 73.7 m -57.85 -42.32 84.23 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -177.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -68.89 -23.59 64.22 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 15.9 mt -90.19 -52.44 10.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 C-N-CA 126.325 1.85 . . . . 0.0 111.223 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -150.36 91.05 4.23 Favored Pre-proline 0 CA--C 1.559 1.306 0 C-N-CA 129.332 3.053 . . . . 0.0 112.323 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -74.89 173.99 13.51 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 123.086 2.524 . . . . 0.0 113.103 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -70.52 -22.29 62.64 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.3 -0.875 . . . . 0.0 112.931 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 24.9 p -73.8 -54.16 8.64 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.326 1.85 . . . . 0.0 113.694 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 20.2 m -140.63 160.46 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.624 1.57 . . . . 0.0 112.951 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 96.7 mmm -81.93 67.13 7.8 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.345 1.058 . . . . 0.0 110.89 175.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.42 -28.0 18.14 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.52 -19.58 3.91 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.5 p -75.96 -15.99 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 119.233 0.924 . . . . 0.0 113.094 176.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -130.1 -26.55 2.36 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.99 1.716 . . . . 0.0 114.643 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -80.99 160.92 24.47 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.056 2.142 . . . . 0.0 111.999 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -133.48 159.98 23.83 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.99 1.281 . . . . 0.0 113.586 178.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 82.1 mt -119.85 116.1 49.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 126.399 1.879 . . . . 0.0 109.074 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -77.81 64.58 3.09 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.564 1.146 . . . . 0.0 112.752 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 tt -57.19 -21.37 32.82 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.589 1.556 . . . . 0.0 112.559 177.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 59.7 mt -53.29 -14.93 0.81 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 127.466 2.306 . . . . 0.0 113.385 175.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.6 t -64.65 -16.86 63.43 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.662 2.385 . . . . 0.0 113.868 175.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -54.01 162.25 1.53 Allowed Pre-proline 0 CA--C 1.561 1.367 0 C-N-CA 126.134 1.774 . . . . 0.0 115.582 -177.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . 0.274 75.6 Cg_exo -45.41 -58.72 1.46 Allowed 'Trans proline' 0 CA--C 1.548 1.222 1 C-N-CA 125.342 4.028 . . . . 0.0 119.236 -173.511 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -70.62 162.9 40.87 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 122.22 1.947 . . . . 0.0 110.987 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . 0.15 80.36 0.04 OUTLIER Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 128.886 2.874 . . . . 0.0 114.935 -176.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -67.49 119.87 6.9 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 123.427 2.751 . . . . 0.0 112.771 -174.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -82.96 -179.07 52.59 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 124.611 1.1 . . . . 0.0 113.338 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 48.5 m -56.79 120.64 39.14 Favored Pre-proline 0 CA--C 1.542 0.656 0 C-N-CA 125.673 1.589 . . . . 0.0 112.278 -178.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -77.36 1.7 8.48 Favored 'Trans proline' 0 CA--C 1.546 1.089 0 C-N-CA 123.445 2.763 . . . . 0.0 114.4 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 . . . . . 0 N--CA 1.473 0.677 0 C-N-CA 126.936 2.094 . . . . 0.0 112.977 -179.414 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 69.2 m . . . . . 0 CA--C 1.541 0.603 0 CA-C-O 118.634 -0.698 . . . . 0.0 112.129 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.87 -47.03 29.37 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 123.367 2.712 . . . . 0.0 112.727 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 19.8 tm0? -56.59 -48.12 78.11 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.319 1.447 . . . . 0.0 111.313 177.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -62.66 -49.55 74.69 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.743 0.817 . . . . 0.0 110.857 177.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 9.3 t -55.48 -48.32 74.75 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.922 1.289 . . . . 0.0 112.151 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.96 -48.42 78.93 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.14 0.976 . . . . 0.0 111.375 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -59.28 -41.95 90.12 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.775 0.83 . . . . 0.0 112.021 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 50.2 mt -65.77 -38.39 88.91 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.606 1.163 . . . . 0.0 111.376 176.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 55.0 m -64.46 -44.43 91.12 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.496 -0.752 . . . . 0.0 111.175 178.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 64.4 mt -54.69 -60.62 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 124.405 1.082 . . . . 0.0 110.782 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -60.92 -32.59 72.08 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -65.0 -52.03 58.38 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.888 0.875 . . . . 0.0 110.655 175.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 32.2 t -59.13 -35.39 73.37 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.038 0.835 . . . . 0.0 111.596 176.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 51.2 mt -60.87 -25.11 34.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 C-N-CA 124.35 1.06 . . . . 0.0 112.331 175.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -64.8 -42.76 94.76 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 120.135 -1.603 . . . . 0.0 109.666 172.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 8.1 t -62.25 -41.21 98.24 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.335 1.054 . . . . 0.0 111.274 174.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 58.6 tp -54.41 -51.95 63.27 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.454 1.101 . . . . 0.0 110.938 175.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 48.0 t -61.58 -50.72 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.251 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 34.0 t60 -52.12 -58.87 5.27 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.483 1.038 . . . . 0.0 111.761 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.33 -33.02 67.3 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 12.7 p -76.14 -12.62 60.14 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -120.09 -7.78 9.83 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.242 1.417 . . . . 0.0 114.735 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 12.9 t -61.93 116.77 5.15 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.356 1.462 . . . . 0.0 111.41 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -74.73 -6.26 47.86 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.032 1.733 . . . . 0.0 115.546 -175.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 30.8 t30 -135.99 110.84 8.76 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.575 1.15 . . . . 0.0 112.28 -177.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -58.23 -16.04 12.29 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 178.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -90.78 4.89 50.42 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.109 1.764 . . . . 0.0 113.694 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 49.5 t -45.17 122.94 3.65 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.074 2.15 . . . . 0.0 112.348 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 15.4 m -73.54 -4.83 36.39 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 115.9 1.815 . . . . 0.0 115.9 -175.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 13.2 tp -66.18 133.28 94.6 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-N 120.697 1.59 . . . . 0.0 109.854 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -64.36 -38.21 35.55 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 121.719 1.613 . . . . 0.0 111.708 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 20.2 m -63.12 -49.47 74.27 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.982 1.313 . . . . 0.0 111.85 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 35.1 t -55.83 -52.25 64.66 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.465 1.506 . . . . 0.0 110.708 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -54.33 -48.72 71.06 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.779 1.231 . . . . 0.0 112.305 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -60.89 -48.9 79.7 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 118.835 0.743 . . . . 0.0 111.407 175.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 3.1 tpt -54.8 -41.02 70.09 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.938 0.895 . . . . 0.0 112.098 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 13.8 mptt -54.02 -35.41 61.9 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 117.799 -1.096 . . . . 0.0 113.064 177.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -63.36 -54.23 40.05 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 120.181 1.355 . . . . 0.0 111.496 177.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 22.9 m -64.11 -37.3 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-N 118.645 0.657 . . . . 0.0 112.039 178.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 45.7 t -61.12 -46.73 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.137 0.975 . . . . 0.0 110.428 175.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.32 -31.37 72.5 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.749 1.219 . . . . 0.0 111.942 175.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 7.7 t60 -67.84 -64.49 0.85 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.647 0.779 . . . . 0.0 110.262 176.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 13.1 t -54.18 -35.0 61.84 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 114.403 1.261 . . . . 0.0 114.403 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -75.01 -13.2 60.48 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 177.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -127.52 -5.94 5.32 Favored Glycine 0 CA--C 1.539 1.556 0 N-CA-C 116.836 1.494 . . . . 0.0 116.836 -177.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 48.9 t -59.72 154.02 19.02 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.169 1.485 . . . . 0.0 112.774 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.14 0.14 23.2 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 127.41 2.284 . . . . 0.0 113.954 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -119.03 -56.58 2.09 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.903 1.681 . . . . 0.0 111.491 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 45.5 mtpt 52.98 -173.78 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.148 2.179 . . . . 0.0 113.934 -178.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 15.0 p -59.02 -25.77 63.96 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 120.439 -1.413 . . . . 0.0 112.73 176.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 37.3 t30 -58.95 -39.42 81.6 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.071 1.349 . . . . 0.0 111.823 175.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -98.89 -5.33 56.53 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 125.529 1.538 . . . . 0.0 114.082 177.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 94.47 17.66 38.48 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 125.652 1.596 . . . . 0.0 116.013 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 12.1 t -54.67 112.96 4.56 Favored Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 125.427 1.491 . . . . 0.0 112.553 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -55.62 -42.07 71.39 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.912 3.075 . . . . 0.0 114.876 -177.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 41.3 t -61.44 -54.2 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.607 0.763 . . . . 0.0 110.878 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 47.7 m -56.96 -44.62 82.78 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.545 1.138 . . . . 0.0 110.731 177.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -50.69 72.46 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.779 1.231 . . . . 0.0 110.198 175.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -53.79 -45.42 70.7 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.693 1.197 . . . . 0.0 112.02 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.35 -51.02 63.32 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.815 0.734 . . . . 0.0 110.981 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 65.9 mt -60.76 -32.07 51.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 124.427 1.091 . . . . 0.0 111.452 178.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -59.95 -55.11 38.08 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.94 1.296 . . . . 0.0 110.206 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.13 -38.81 90.36 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.472 -0.768 . . . . 0.0 111.565 176.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 72.1 m -61.4 -38.15 86.05 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 118.932 0.787 . . . . 0.0 111.301 173.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 43.2 t -66.44 -48.6 69.44 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.675 1.19 . . . . 0.0 111.036 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 37.6 t80 -57.02 -43.61 82.04 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.012 0.525 . . . . 0.0 110.669 175.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 37.0 t60 -58.59 -58.16 9.79 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.747 0.819 . . . . 0.0 109.808 175.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -52.46 -34.39 48.82 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.92 1.688 . . . . 0.0 114.691 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -56.9 -46.54 81.87 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.988 1.715 . . . . 0.0 111.038 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 49.5 m80 -90.14 -25.24 20.8 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.526 1.93 . . . . 0.0 114.685 -178.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1834 ' ' CYS . . . . . 0.483 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 8.7 t -64.88 164.08 13.16 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.456 1.502 . . . . 0.0 113.694 -178.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -149.02 -5.84 0.39 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.066 1.746 . . . . 0.0 115.196 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -76.01 111.37 11.33 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 120.959 -1.088 . . . . 0.0 111.485 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -59.4 -11.06 3.74 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 116.289 1.959 . . . . 0.0 116.289 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -133.11 27.46 4.19 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.291 2.236 . . . . 0.0 113.064 -178.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 15.0 t -48.49 134.53 13.15 Favored Pre-proline 0 CA--C 1.559 1.302 0 C-N-CA 126.662 1.985 . . . . 0.0 113.123 -178.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -66.68 -21.71 51.4 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 123.796 2.997 . . . . 0.0 115.722 -177.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 75.6 t -64.73 119.4 57.27 Favored Pre-proline 0 N--CA 1.477 0.89 0 CA-C-N 119.599 1.09 . . . . 0.0 110.331 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -47.03 -56.54 2.95 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 124.663 3.575 . . . . 0.0 116.572 -176.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -79.72 -19.02 49.82 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.789 1.404 . . . . 0.0 114.789 -176.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 52.5 t -45.95 -68.86 0.16 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.646 1.578 . . . . 0.0 112.68 -177.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 59.5 mt -54.32 -36.16 63.45 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.239 1.416 . . . . 0.0 113.655 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -63.91 -49.11 73.93 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.463 0.705 . . . . 0.0 110.227 175.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 8.3 mm -59.66 -46.55 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-O 118.562 -0.732 . . . . 0.0 110.473 175.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1848 ' ' LYS . . . . . 0.483 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 69.2 mttt -51.78 -47.27 64.26 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 119.666 1.121 . . . . 0.0 110.992 177.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 48.0 t60 -57.68 -49.41 76.6 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.498 0.719 . . . . 0.0 110.805 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -58.06 -40.98 82.36 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 118.735 0.698 . . . . 0.0 111.78 177.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.64 -39.56 91.76 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.455 1.502 . . . . 0.0 112.062 176.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -76.07 -27.6 57.3 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 118.974 0.806 . . . . 0.0 112.625 176.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -67.08 -13.26 61.76 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.552 1.141 . . . . 0.0 113.286 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -66.41 -21.03 66.21 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.806 1.242 . . . . 0.0 113.231 177.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 . . . . . 0 CA--C 1.541 0.6 0 C-N-CA 125.167 1.387 . . . . 0.0 111.955 179.392 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 78.2 p . . . . . 0 N--CA 1.471 0.594 0 N-CA-C 114.128 1.158 . . . . 0.0 114.128 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -71.51 -0.26 10.08 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.957 1.703 . . . . 0.0 115.114 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 25.1 mmt -72.86 13.85 0.34 Allowed 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 127.332 2.253 . . . . 0.0 115.387 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -145.09 136.66 12.78 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 126.574 1.95 . . . . 0.0 111.757 178.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -77.23 -93.16 0.01 OUTLIER 'Trans proline' 0 CA--C 1.546 1.086 0 C-N-CA 123.813 3.009 . . . . 0.0 110.729 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -162.54 170.49 18.53 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.254 1.822 . . . . 0.0 111.798 177.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -157.7 135.72 7.38 Favored Pre-proline 0 CA--C 1.549 0.904 0 C-N-CA 126.646 1.978 . . . . 0.0 109.542 176.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -64.74 -12.63 34.92 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.929 2.419 . . . . 0.0 115.547 -177.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -103.58 -7.2 20.98 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.091 1.356 . . . . 0.0 113.214 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -57.57 -35.51 70.47 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -172.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -59.25 -46.98 87.06 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.356 1.062 . . . . 0.0 110.588 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.15 -22.7 66.96 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.459 1.104 . . . . 0.0 113.35 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 38.5 t -79.92 -50.73 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-N 119.06 0.845 . . . . 0.0 109.175 175.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 37.4 m -54.78 -39.2 68.17 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.144 1.377 . . . . 0.0 114.698 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -63.2 -24.78 68.03 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 119.337 0.971 . . . . 0.0 113.1 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 7.4 mt -90.07 -53.58 8.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 125.981 1.712 . . . . 0.0 109.419 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -151.52 101.61 2.93 Favored Pre-proline 0 CA--C 1.551 1.008 0 C-N-CA 127.147 2.179 . . . . 0.0 111.343 179.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -76.1 172.01 17.06 Favored 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 122.46 2.107 . . . . 0.0 110.595 176.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -69.43 -22.02 63.7 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 120.699 -1.25 . . . . 0.0 112.989 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 18.1 m -71.59 -46.88 58.04 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.956 1.702 . . . . 0.0 114.823 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.8 m -144.9 159.36 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 125.213 1.405 . . . . 0.0 112.978 -177.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 48.1 tpp -80.3 65.08 5.33 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.33 1.052 . . . . 0.0 110.857 175.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 56.2 tp -55.71 -25.15 38.69 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.132 1.373 . . . . 0.0 113.202 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.41 -18.6 51.87 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.287 1.035 . . . . 0.0 113.339 175.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 1.8 p -71.62 -13.16 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.243 1.017 . . . . 0.0 112.627 176.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -132.64 -25.34 1.9 Allowed 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -73.72 124.1 25.37 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.026 -1.046 . . . . 0.0 113.102 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -85.96 93.72 1.88 Allowed Glycine 0 CA--C 1.532 1.137 0 C-N-CA 125.354 1.454 . . . . 0.0 111.923 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 7.3 mm -67.83 103.26 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.999 1.32 . . . . 0.0 111.73 -176.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -74.52 61.05 0.91 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.914 2.086 . . . . 0.0 113.225 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 tt -56.02 -28.07 55.79 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.623 1.169 . . . . 0.0 111.712 176.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.408 ' HG ' ' H ' ' B' ' 81' ' ' LEU . 18.5 mt -47.62 -18.92 0.16 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 129.609 3.164 . . . . 0.0 113.586 175.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.0 t -61.68 -19.3 62.19 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 127.173 2.189 . . . . 0.0 113.705 175.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -62.43 152.4 80.12 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 124.329 1.052 . . . . 0.0 112.244 178.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -70.46 121.96 8.47 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 122.753 2.302 . . . . 0.0 111.077 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -70.97 -24.16 24.47 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.764 2.309 . . . . 0.0 113.175 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -153.47 153.87 29.75 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 126.937 2.095 . . . . 0.0 110.214 177.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -71.87 -15.13 29.75 Favored 'Trans proline' 0 CA--C 1.543 0.969 0 C-N-CA 123.152 2.568 . . . . 0.0 113.79 179.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.93 18.42 57.34 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 126.26 1.886 . . . . 0.0 114.897 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 95.9 p -68.95 160.26 78.97 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-N 118.689 1.245 . . . . 0.0 111.545 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -61.07 -25.22 80.93 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 122.185 1.923 . . . . 0.0 115.278 -178.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 . . . . . 0 N--CA 1.47 0.539 0 C-N-CA 125.118 1.367 . . . . 0.0 111.345 179.84 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 CA--C 1.544 0.718 0 CA-C-O 119.49 -0.291 . . . . 0.0 111.629 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -49.84 -44.99 34.2 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 124.708 3.605 . . . . 0.0 115.108 -178.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -63.6 -50.78 68.07 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.885 1.274 . . . . 0.0 111.41 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.73 -41.59 99.24 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.496 0.718 . . . . 0.0 111.609 178.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 58.8 m -55.82 -46.47 78.09 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.807 0.843 . . . . 0.0 110.814 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 68.3 mtt85 -65.3 -47.87 75.09 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.731 1.212 . . . . 0.0 111.364 175.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 34.7 ttm105 -58.66 -35.15 72.1 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.588 1.555 . . . . 0.0 112.908 178.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 71.7 mt -76.88 -40.62 46.88 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.244 1.017 . . . . 0.0 110.908 175.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 62.8 m -65.81 -49.64 67.51 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.697 0.799 . . . . 0.0 112.28 178.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 16.0 tt -56.49 -49.44 77.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.195 1.398 . . . . 0.0 112.437 -179.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -63.91 -37.57 87.89 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 118.992 0.815 . . . . 0.0 112.287 178.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -61.24 -51.96 66.74 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.839 1.256 . . . . 0.0 110.703 175.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 85.7 m -57.83 -40.86 81.06 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.748 0.819 . . . . 0.0 111.206 176.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 42.2 mt -60.99 -31.3 49.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 O-C-N 121.292 -0.88 . . . . 0.0 112.525 177.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -63.56 -44.72 93.3 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 120.49 1.495 . . . . 0.0 110.084 174.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 34.8 m -63.53 -35.93 82.12 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.412 1.085 . . . . 0.0 111.881 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 57.7 tp -61.62 -44.84 96.25 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.902 1.281 . . . . 0.0 111.051 176.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 59.0 t -59.66 -50.57 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-O 118.454 -0.784 . . . . 0.0 109.454 175.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 38.3 t60 -53.48 -57.0 12.27 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.316 0.962 . . . . 0.0 111.032 177.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -55.38 -36.11 66.01 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 8.9 p -73.54 -15.8 61.29 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -114.4 -13.74 12.24 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.067 1.347 . . . . 0.0 114.229 178.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 12.5 t -64.04 113.45 3.51 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.472 1.509 . . . . 0.0 111.554 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -3.01 19.76 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 116.32 1.97 . . . . 0.0 116.32 -176.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 30.5 t30 -137.13 111.04 8.21 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.835 1.198 . . . . 0.0 112.055 -178.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.39 -15.05 14.38 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 178.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -91.98 6.54 45.93 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 126.294 1.838 . . . . 0.0 113.503 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 53.7 t -45.39 130.34 8.4 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 127.144 2.178 . . . . 0.0 112.179 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 14.8 m -66.78 -6.08 14.6 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 116.388 1.996 . . . . 0.0 116.388 -174.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 15.7 tp -78.38 124.04 85.65 Favored Pre-proline 0 CA--C 1.55 0.968 0 CA-C-N 120.308 1.413 . . . . 0.0 111.651 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -50.61 -42.59 49.2 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 123.478 2.785 . . . . 0.0 114.911 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 49.9 m -72.16 -37.24 69.4 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -178.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 38.5 t -59.2 -51.48 69.83 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.585 1.154 . . . . 0.0 108.977 175.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -50.3 -49.23 54.22 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.414 1.486 . . . . 0.0 112.051 175.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 83.2 mttt -60.74 -50.09 74.86 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.948 1.299 . . . . 0.0 111.621 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -40.82 81.82 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.096 0.958 . . . . 0.0 112.494 176.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -53.56 -39.96 65.18 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.909 0.884 . . . . 0.0 112.316 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -60.8 -56.31 22.68 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 119.261 0.937 . . . . 0.0 112.002 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 26.9 m -66.46 -36.75 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 3.0 p -67.83 -40.01 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 119.966 1.257 . . . . 0.0 110.939 177.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -63.05 -29.89 71.17 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.637 0.775 . . . . 0.0 111.595 174.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.7 t60 -67.43 -67.59 0.45 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.54 0.736 . . . . 0.0 109.596 174.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 6.2 t -55.75 -33.93 64.75 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 115.016 1.488 . . . . 0.0 115.016 -174.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.83 -15.79 62.67 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 178.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -125.17 -9.04 5.28 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 125.284 1.421 . . . . 0.0 116.178 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 52.4 t -56.88 137.07 55.65 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.654 1.582 . . . . 0.0 112.048 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -91.09 -1.08 57.83 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.932 1.693 . . . . 0.0 113.002 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -115.16 -58.97 2.07 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.182 1.793 . . . . 0.0 111.959 -179.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 46.9 mtpt 53.8 -176.55 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.493 2.317 . . . . 0.0 114.213 -177.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 20.0 p -54.67 -40.55 69.21 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.014 1.325 . . . . 0.0 113.166 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -62.2 -21.05 64.81 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.247 1.019 . . . . 0.0 113.582 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -105.3 -2.99 41.42 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 125.989 1.757 . . . . 0.0 113.57 176.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 94.82 10.46 57.67 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.773 1.654 . . . . 0.0 116.061 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 14.0 t -59.28 120.9 52.0 Favored Pre-proline 0 CA--C 1.551 1.015 0 CA-C-N 119.421 1.61 . . . . 0.0 111.935 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -69.01 -40.48 6.43 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.815 2.343 . . . . 0.0 114.206 -177.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 61.2 t -58.06 -56.31 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 119.808 1.186 . . . . 0.0 111.361 -178.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 37.0 m -52.07 -45.6 64.84 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.378 1.471 . . . . 0.0 111.149 178.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.43 -49.35 77.61 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.101 1.36 . . . . 0.0 110.931 176.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -60.43 -39.66 88.25 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.089 0.859 . . . . 0.0 112.144 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.85 -50.06 70.32 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-O 121.414 0.626 . . . . 0.0 110.286 176.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 62.3 mt -61.34 -29.98 47.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 125.207 1.403 . . . . 0.0 112.283 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -57.43 -47.16 82.51 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 120.029 1.286 . . . . 0.0 111.244 175.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 9.1 mp -67.62 -40.98 84.67 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.976 0.91 . . . . 0.0 110.93 175.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 74.6 m -58.79 -40.91 85.41 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 122.818 0.447 . . . . 0.0 110.989 175.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 44.6 t -64.71 -50.78 65.61 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.3 1.44 . . . . 0.0 111.212 176.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 47.2 t80 -56.39 -42.4 77.87 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.702 0.801 . . . . 0.0 111.257 176.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 41.7 t60 -61.65 -58.71 7.01 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.248 1.019 . . . . 0.0 110.192 174.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -53.17 -32.13 46.17 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.181 1.792 . . . . 0.0 114.827 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -56.5 -47.49 79.17 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.792 1.637 . . . . 0.0 110.922 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -90.12 -25.19 20.84 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.448 1.499 . . . . 0.0 114.385 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 17.8 t -66.07 161.81 20.88 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.963 1.305 . . . . 0.0 113.526 -179.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.59 -0.03 0.56 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 127.199 2.2 . . . . 0.0 114.504 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -68.11 114.33 6.53 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.747 -1.221 . . . . 0.0 111.087 178.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 31.5 t30 -62.99 -17.93 62.71 Favored 'General case' 0 CA--C 1.551 1.015 0 O-C-N 120.594 -1.316 . . . . 0.0 113.754 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 96.7 mttt -131.52 32.97 4.1 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 127.176 2.19 . . . . 0.0 113.05 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 5.7 t -45.75 135.33 6.28 Favored Pre-proline 0 CA--C 1.554 1.126 0 C-N-CA 126.365 1.866 . . . . 0.0 112.451 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -64.02 -23.78 67.37 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 122.693 2.262 . . . . 0.0 114.327 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1841 ' ' VAL . . . . . 0.412 HG12 ' H ' ' A' 1844 ' ' CYS . 87.4 t -71.3 120.36 79.2 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 124.787 1.235 . . . . 0.0 109.183 176.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -65.65 -41.87 13.71 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.817 2.344 . . . . 0.0 114.089 -176.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -71.42 -30.0 65.55 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 179.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1844 ' ' CYS . . . . . 0.412 ' H ' HG12 ' A' 1841 ' ' VAL . 38.3 t -49.87 -65.89 0.49 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.109 1.364 . . . . 0.0 110.949 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 69.4 mt -51.21 -40.66 59.23 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.506 1.522 . . . . 0.0 113.734 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -62.35 -50.01 73.29 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.187 0.595 . . . . 0.0 109.953 176.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 8.3 mm -59.87 -47.01 93.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-O 118.77 -0.633 . . . . 0.0 110.425 175.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -53.58 -45.84 70.11 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.789 1.177 . . . . 0.0 111.073 177.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 55.2 t60 -57.34 -51.57 68.84 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.677 0.791 . . . . 0.0 110.669 176.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 14.2 mptt -54.63 -47.39 73.54 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.414 1.086 . . . . 0.0 111.502 175.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 5.8 mp -61.77 -50.32 72.85 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.371 1.869 . . . . 0.0 113.412 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -71.28 -23.03 61.89 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 118.803 0.729 . . . . 0.0 112.716 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -74.7 -11.9 60.29 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.076 1.35 . . . . 0.0 113.184 177.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -61.56 -16.61 49.5 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 178.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.585 0 C-N-CA 126.303 1.841 . . . . 0.0 113.175 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 CA--C 1.542 0.638 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -70.32 -15.53 62.89 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.435 1.494 . . . . 0.0 114.118 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 28.1 ptm -148.62 168.91 21.56 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.457 1.903 . . . . 0.0 111.851 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.68 128.62 93.94 Favored Pre-proline 0 CA--C 1.55 0.959 0 C-N-CA 123.866 0.866 . . . . 0.0 111.428 177.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -73.91 -88.11 0.0 OUTLIER 'Trans proline' 0 CA--C 1.544 1.013 0 C-N-CA 123.489 2.793 . . . . 0.0 111.212 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -165.87 172.07 12.03 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.773 2.029 . . . . 0.0 111.164 177.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -152.62 133.03 7.53 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 126.158 1.783 . . . . 0.0 109.54 175.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -65.91 -15.61 49.53 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 122.775 2.317 . . . . 0.0 115.342 -177.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -95.13 -12.07 27.1 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.671 1.189 . . . . 0.0 112.977 178.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -59.48 -30.53 68.61 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -174.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.36 -38.18 90.14 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.549 1.14 . . . . 0.0 111.307 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.4 -50.88 23.26 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.427 1.091 . . . . 0.0 110.271 176.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 59.4 t -55.37 -42.99 69.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 123.674 0.79 . . . . 0.0 111.815 178.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 70.9 m -53.76 -39.48 65.41 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -73.36 -17.71 61.25 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.698 1.135 . . . . 0.0 113.124 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 7.5 mt -90.05 -57.36 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.59 1.156 . . . . 0.0 109.212 175.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -151.88 101.32 2.86 Favored Pre-proline 0 CA--C 1.551 1.019 0 C-N-CA 126.828 2.051 . . . . 0.0 111.45 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -74.36 175.14 11.39 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 122.846 2.364 . . . . 0.0 111.109 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -75.1 -18.3 60.29 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.634 -1.291 . . . . 0.0 113.128 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 25.5 p -74.11 -51.07 16.79 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.19 1.796 . . . . 0.0 113.781 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 32.8 m -139.82 157.06 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.68 1.592 . . . . 0.0 112.817 -178.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 42.8 ttm -82.12 62.07 5.69 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.579 1.152 . . . . 0.0 110.502 176.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 65.5 tp -47.57 -29.99 3.27 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.264 2.226 . . . . 0.0 114.326 -177.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.85 -19.55 18.1 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.51 1.124 . . . . 0.0 113.968 176.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.7 p -72.15 -20.02 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.054 0.942 . . . . 0.0 112.803 176.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -126.1 -18.48 5.01 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -178.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -120.53 111.24 17.43 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.581 1.552 . . . . 0.0 110.612 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.0 163.32 31.75 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.291 0.948 . . . . 0.0 114.375 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 38.4 mt -101.8 105.64 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 127.078 2.151 . . . . 0.0 108.28 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -75.01 65.4 1.44 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.464 1.106 . . . . 0.0 113.175 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 38.7 tp -57.96 -7.34 0.74 Allowed 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 127.74 2.416 . . . . 0.0 113.811 177.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 14.5 mt -81.4 -20.21 40.93 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.886 2.074 . . . . 0.0 113.581 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.7 t -74.45 -13.29 60.68 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.277 1.031 . . . . 0.0 113.156 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -68.97 153.89 95.61 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 126.508 1.923 . . . . 0.0 113.361 -178.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -70.88 162.52 42.37 Favored 'Trans proline' 0 CA--C 1.547 1.154 0 C-N-CA 123.246 2.631 . . . . 0.0 112.016 177.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -69.31 -22.58 33.96 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.123 2.549 . . . . 0.0 113.813 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -151.17 153.8 33.19 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 126.185 1.794 . . . . 0.0 110.941 178.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -74.5 -15.44 22.06 Favored 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 123.26 2.64 . . . . 0.0 113.901 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -79.85 71.75 2.68 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 125.636 1.589 . . . . 0.0 113.306 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 90.8 p -70.13 156.86 91.13 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 125.218 1.407 . . . . 0.0 111.538 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -74.02 -9.05 21.85 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 122.628 2.218 . . . . 0.0 114.349 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 . . . . . 0 C--O 1.239 0.537 0 C-N-CA 125.507 1.523 . . . . 0.0 111.854 179.844 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 73.1 m . . . . . 0 CA--C 1.542 0.639 0 CA-C-O 119.267 -0.397 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -64.1 -45.17 10.63 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.819 2.346 . . . . 0.0 112.562 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -59.73 -45.33 92.52 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.592 0.757 . . . . 0.0 111.068 177.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -59.65 -48.92 79.78 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.55 0.74 . . . . 0.0 110.673 175.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 53.3 m -56.3 -46.66 79.7 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.199 0.999 . . . . 0.0 111.698 177.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -61.46 -53.24 59.09 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.721 1.208 . . . . 0.0 111.099 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1770 ' ' ARG . . . . . 0.463 ' NH1' HE22 ' A' 1774 ' ' GLN . 44.4 ttp85 -52.8 -46.58 67.73 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.367 1.467 . . . . 0.0 112.091 178.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.73 -43.23 84.76 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.323 0.649 . . . . 0.0 111.043 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 69.4 m -59.52 -45.99 90.16 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.499 0.72 . . . . 0.0 111.44 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 62.7 mt -54.28 -63.68 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 126.218 1.807 . . . . 0.0 110.282 177.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . 0.463 HE22 ' NH1' ' A' 1770 ' ' ARG . 5.5 pt20 -60.61 -35.65 76.67 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -177.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 83.5 mmt-85 -64.94 -53.66 42.93 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.112 0.869 . . . . 0.0 110.538 175.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 33.5 t -61.05 -27.99 68.74 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.559 0.743 . . . . 0.0 112.567 177.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 32.6 mt -65.31 -28.54 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 O-C-N 120.493 -1.38 . . . . 0.0 111.442 175.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -63.54 -44.38 94.38 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.651 -1.28 . . . . 0.0 109.539 174.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 1.5 m -59.88 -42.1 93.01 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.476 1.91 . . . . 0.0 110.79 175.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 5.9 tt -58.58 -56.0 27.74 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.662 1.985 . . . . 0.0 110.429 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 99.2 t -55.58 -51.53 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.718 0.807 . . . . 0.0 110.567 177.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 35.5 t60 -53.07 -56.29 17.32 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.43 0.692 . . . . 0.0 111.434 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -55.67 -31.66 62.57 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 95.6 m -75.54 -14.29 60.4 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 177.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -118.34 -14.8 9.76 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.986 1.314 . . . . 0.0 114.163 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 9.6 t -66.68 121.46 15.45 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.141 1.376 . . . . 0.0 111.663 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -75.3 -8.54 56.91 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.325 1.85 . . . . 0.0 115.462 -177.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 30.3 t30 -137.34 114.25 10.59 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.886 1.221 . . . . 0.0 113.28 -176.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.79 -16.23 26.5 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -91.23 9.02 33.0 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.269 1.828 . . . . 0.0 113.335 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 47.4 t -47.92 138.54 8.77 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.105 2.162 . . . . 0.0 111.714 178.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 81.0 p -72.93 -10.35 59.7 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 115.494 1.665 . . . . 0.0 115.494 -177.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 26.9 tp -74.09 120.24 80.34 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-N 121.016 1.734 . . . . 0.0 112.339 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -49.82 -42.08 45.1 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 123.393 2.729 . . . . 0.0 113.778 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.6 -49.18 78.43 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.307 1.043 . . . . 0.0 112.208 177.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 38.0 t -58.34 -55.24 37.51 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.793 1.637 . . . . 0.0 109.921 177.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -48.89 -55.46 11.69 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.449 1.5 . . . . 0.0 112.799 178.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 89.0 mttt -59.1 -50.35 74.41 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.749 1.22 . . . . 0.0 111.808 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 53.3 tpp -60.0 -42.58 94.56 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.194 1.397 . . . . 0.0 113.245 179.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -49.04 -44.18 41.33 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.049 1.34 . . . . 0.0 113.152 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -57.16 -47.95 79.92 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.72 0.808 . . . . 0.0 111.845 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 5.1 t -69.49 -40.31 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.387 1.075 . . . . 0.0 111.74 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 54.1 t -59.49 -44.97 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.046 0.939 . . . . 0.0 109.947 175.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -66.47 -29.65 69.81 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.229 1.011 . . . . 0.0 112.281 176.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 10.6 t60 -71.56 -62.36 1.44 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.92 0.888 . . . . 0.0 110.669 176.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 5.3 t -54.75 -33.85 61.74 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -175.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -71.62 -10.04 59.16 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 178.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -137.58 1.62 2.96 Favored Glycine 0 CA--C 1.538 1.498 0 N-CA-C 117.046 1.578 . . . . 0.0 117.046 -177.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 46.2 t -58.78 141.58 52.61 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.356 1.578 . . . . 0.0 113.091 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -82.25 -8.45 59.64 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.296 1.839 . . . . 0.0 112.775 179.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 72.2 mtt-85 -117.82 -57.09 2.14 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.623 1.969 . . . . 0.0 112.138 178.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1812 ' ' LYS . . . . . 0.411 ' HA ' ' SG ' ' A' 1820 ' ' CYS 0.354 53.7 pttt 52.78 -168.56 0.05 OUTLIER 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.976 2.11 . . . . 0.0 112.719 -169.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 60.0 p -49.55 -52.95 26.35 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.097 1.359 . . . . 0.0 113.843 -177.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -66.95 -18.31 65.32 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -94.01 2.46 69.08 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 125.583 1.563 . . . . 0.0 113.516 177.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 85.15 6.94 84.0 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 125.657 1.599 . . . . 0.0 115.841 178.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 45.2 t -66.55 118.74 56.94 Favored Pre-proline 0 CA--C 1.555 1.162 0 CA-C-N 119.117 1.458 . . . . 0.0 111.088 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.58 -32.66 14.8 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.878 2.386 . . . . 0.0 113.666 -177.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 47.2 t -54.13 -60.13 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.057 1.343 . . . . 0.0 110.273 179.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1820 ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' 1812 ' ' LYS . 36.4 m -56.22 -45.52 79.89 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.538 1.535 . . . . 0.0 110.891 177.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -45.26 71.11 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 117.466 -1.254 . . . . 0.0 112.913 178.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -58.79 -55.14 38.9 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 120.568 1.531 . . . . 0.0 111.974 177.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 15.9 tp -62.34 -48.25 80.62 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.004 0.922 . . . . 0.0 112.015 -179.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 45.9 mm -64.11 -36.19 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 O-C-N 121.066 -1.021 . . . . 0.0 111.488 177.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -59.91 -47.06 87.32 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 120.48 1.491 . . . . 0.0 111.309 175.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 7.3 mp -62.27 -40.67 97.01 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.344 0.657 . . . . 0.0 110.664 175.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 24.4 t -60.61 -40.26 91.2 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.687 -0.633 . . . . 0.0 111.159 174.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 96.3 m -62.46 -46.9 86.42 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.242 -0.911 . . . . 0.0 110.977 175.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 36.6 t80 -58.89 -42.31 89.23 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.53 0.732 . . . . 0.0 111.171 176.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 36.2 t60 -60.19 -59.85 4.76 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.147 0.979 . . . . 0.0 110.052 175.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -53.32 -33.46 53.48 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.058 1.743 . . . . 0.0 114.462 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -56.23 -46.58 79.5 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.84 1.656 . . . . 0.0 111.167 177.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 43.0 m80 -90.23 -24.53 20.95 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.443 1.897 . . . . 0.0 114.413 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1834 ' ' CYS . . . . . 0.455 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 8.9 t -63.98 160.41 17.91 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.441 1.496 . . . . 0.0 113.256 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -148.16 -4.19 0.48 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.812 1.645 . . . . 0.0 115.199 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -75.17 116.74 16.23 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.778 -1.201 . . . . 0.0 111.403 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 39.7 t30 -61.32 -17.16 52.42 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 -178.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -133.8 40.0 3.12 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 127.045 2.138 . . . . 0.0 112.633 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 19.2 t -51.93 137.06 36.45 Favored Pre-proline 0 CA--C 1.558 1.264 0 C-N-CA 126.062 1.745 . . . . 0.0 111.701 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -64.51 -21.72 65.81 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.468 2.779 . . . . 0.0 114.942 -177.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 98.9 t -69.82 122.63 86.57 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 124.331 1.052 . . . . 0.0 108.938 177.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -64.58 -45.75 8.38 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.856 2.37 . . . . 0.0 114.551 -175.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -74.3 -25.52 59.63 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.917 1.081 . . . . 0.0 113.917 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 49.4 t -46.26 -64.7 0.69 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.501 1.92 . . . . 0.0 112.183 -178.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 60.0 mt -53.93 -36.86 63.23 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.258 1.423 . . . . 0.0 113.396 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 53.9 t30 -65.04 -46.61 80.55 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.645 0.657 . . . . 0.0 110.296 175.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 10.2 mm -58.13 -48.12 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-O 118.798 -0.62 . . . . 0.0 110.076 176.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1848 ' ' LYS . . . . . 0.455 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 69.9 mttt -52.58 -48.24 66.34 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.465 1.029 . . . . 0.0 111.237 176.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 58.0 t60 -58.03 -48.28 80.56 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.095 0.958 . . . . 0.0 111.553 178.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 10.3 mptt -57.56 -48.12 80.21 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.704 1.602 . . . . 0.0 111.019 175.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 5.3 mp -56.35 -45.22 80.53 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.712 1.605 . . . . 0.0 111.746 176.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -59.93 -27.25 66.6 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.888 0.875 . . . . 0.0 113.274 178.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -69.09 -31.86 70.88 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.085 0.857 . . . . 0.0 111.367 175.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -76.0 -44.33 40.08 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.832 1.253 . . . . 0.0 110.766 176.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 . . . . . 0 CA--C 1.538 0.504 0 C-N-CA 125.882 1.673 . . . . 0.0 111.251 178.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 N--CA 1.468 0.453 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -63.83 -16.07 60.38 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.633 1.573 . . . . 0.0 114.444 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 21.5 ptt? -71.01 12.43 0.29 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 129.173 2.989 . . . . 0.0 116.28 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.27 136.04 91.28 Favored Pre-proline 0 CA--C 1.549 0.938 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 -175.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -82.55 -119.62 0.01 OUTLIER 'Trans proline' 0 CA--C 1.551 1.354 0 C-N-CA 124.296 3.33 . . . . 0.0 108.179 173.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -151.88 166.77 30.43 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.354 1.462 . . . . 0.0 111.64 175.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -155.48 150.23 20.37 Favored Pre-proline 0 CA--C 1.544 0.747 0 C-N-CA 126.628 1.971 . . . . 0.0 110.004 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -72.46 -13.38 27.68 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 122.372 2.048 . . . . 0.0 114.509 -176.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -83.01 -28.07 29.92 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -59.56 -29.21 67.77 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.406 1.082 . . . . 0.0 112.969 -177.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -62.37 -42.03 99.09 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.208 1.803 . . . . 0.0 110.84 176.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.13 -47.37 44.73 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.44 1.096 . . . . 0.0 110.526 174.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 83.5 t -52.94 -47.58 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.257 1.023 . . . . 0.0 110.997 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 69.0 m -50.62 -43.12 56.78 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.62 1.568 . . . . 0.0 114.968 -178.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -75.24 -13.66 60.46 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 14.1 mt -90.14 -52.67 10.27 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 C-N-CA 125.44 1.496 . . . . 0.0 108.338 173.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -158.03 110.21 1.75 Allowed Pre-proline 0 CA--C 1.554 1.106 0 C-N-CA 129.352 3.061 . . . . 0.0 112.709 176.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -79.78 175.76 10.19 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 123.12 2.547 . . . . 0.0 111.335 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -77.9 -27.25 49.53 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 120.864 -1.148 . . . . 0.0 113.002 178.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 17.6 m -66.56 -42.12 87.56 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.508 1.523 . . . . 0.0 114.698 -177.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 27.9 m -145.16 155.29 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.391 1.476 . . . . 0.0 112.273 -178.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 91.1 mmm -80.29 65.13 5.34 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.084 0.954 . . . . 0.0 110.821 175.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 42.2 tp -53.04 -25.55 12.88 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.718 1.607 . . . . 0.0 112.109 177.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.37 -30.09 17.69 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.486 1.914 . . . . 0.0 114.247 176.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 2.5 p -73.97 -8.89 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -133.53 12.83 4.12 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.182 1.793 . . . . 0.0 113.977 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -135.98 159.69 40.91 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.354 1.462 . . . . 0.0 112.142 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -142.18 171.56 24.54 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.638 1.589 . . . . 0.0 113.312 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 29.9 mm -118.95 127.93 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 126.024 1.73 . . . . 0.0 112.046 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -76.96 65.56 2.65 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.595 1.958 . . . . 0.0 110.857 175.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 62.0 tp -54.89 -25.96 32.56 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.631 1.572 . . . . 0.0 112.58 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.405 ' H ' ' HG ' ' B' ' 81' ' ' LEU . 16.8 mt -51.73 -20.67 2.24 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 128.759 2.823 . . . . 0.0 113.297 177.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.5 t -67.56 -10.12 48.91 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.567 1.947 . . . . 0.0 114.596 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -60.39 157.26 36.19 Favored Pre-proline 0 CA--C 1.553 1.061 0 C-N-CA 125.212 1.405 . . . . 0.0 113.665 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -67.3 119.6 6.62 Favored 'Trans proline' 0 CA--C 1.548 1.213 0 C-N-CA 123.218 2.612 . . . . 0.0 111.125 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -73.06 -10.41 24.5 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 123.503 2.802 . . . . 0.0 115.698 -176.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.78 141.43 85.13 Favored Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 124.322 1.049 . . . . 0.0 112.827 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -73.99 -16.72 22.82 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 123.478 2.785 . . . . 0.0 114.291 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 179.92 -177.4 48.05 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.389 1.471 . . . . 0.0 112.984 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 43.0 m -67.27 151.35 97.23 Favored Pre-proline 0 CA--C 1.544 0.72 0 C-N-CA 124.986 1.314 . . . . 0.0 111.428 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -74.74 -18.21 19.61 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 122.659 2.239 . . . . 0.0 114.86 -178.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 . . . . . 0 N--CA 1.476 0.853 0 C-N-CA 127.232 2.213 . . . . 0.0 113.92 -179.89 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 26.1 t . . . . . 0 CA--C 1.539 0.556 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -54.92 -26.3 48.15 Favored 'Trans proline' 0 CA--C 1.542 0.881 0 C-N-CA 123.008 2.472 . . . . 0.0 112.901 174.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -60.44 -26.37 66.68 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.038 1.735 . . . . 0.0 112.493 176.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -56.14 -50.26 71.62 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.256 0.935 . . . . 0.0 111.496 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 47.3 m -58.42 -39.94 81.13 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.716 0.806 . . . . 0.0 112.55 178.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -70.39 -48.57 55.59 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.654 1.182 . . . . 0.0 110.979 178.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -60.52 -31.81 70.87 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.317 1.847 . . . . 0.0 111.998 175.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 41.2 mt -75.83 -43.48 45.78 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.341 1.056 . . . . 0.0 110.4 174.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 59.5 m -62.85 -47.02 85.2 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.233 -0.917 . . . . 0.0 112.725 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 19.6 tt -57.32 -51.36 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 O-C-N 121.135 -0.978 . . . . 0.0 111.572 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -64.55 -33.1 75.11 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.078 0.853 . . . . 0.0 112.868 178.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -66.08 -51.23 60.03 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.17 0.988 . . . . 0.0 110.82 175.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 37.1 t -57.24 -37.0 71.63 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 119.032 0.833 . . . . 0.0 111.145 175.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 35.4 mt -60.86 -27.35 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 C-N-CA 124.334 1.054 . . . . 0.0 112.629 175.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -65.2 -45.79 83.34 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.506 1.503 . . . . 0.0 109.826 173.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 16.4 m -58.69 -40.35 83.37 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.065 1.346 . . . . 0.0 111.115 174.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 62.3 tp -59.52 -53.21 60.71 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.97 1.308 . . . . 0.0 110.669 175.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 83.0 t -55.67 -50.79 65.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.652 177.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 36.3 t60 -52.63 -57.71 9.17 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.986 0.812 . . . . 0.0 111.126 178.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.66 -28.53 63.84 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 85.4 m -77.66 -16.29 58.62 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 176.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -114.49 -16.42 11.91 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 10.2 t -64.16 130.06 42.43 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.979 1.712 . . . . 0.0 111.926 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.94 -10.68 59.8 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.744 1.618 . . . . 0.0 115.123 -177.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 33.4 t30 -136.77 113.51 10.29 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.434 1.094 . . . . 0.0 113.324 -175.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -57.68 -17.31 14.21 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 177.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -87.52 -1.15 57.74 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.438 1.495 . . . . 0.0 113.917 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 52.3 t -46.85 113.06 0.59 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 127.191 2.196 . . . . 0.0 111.378 178.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 91.9 p -67.34 -3.36 7.94 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 116.705 2.113 . . . . 0.0 116.705 -173.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 19.1 tp -61.71 122.32 70.56 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.306 1.443 . . . . 0.0 110.369 178.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -47.92 -40.86 32.94 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.534 2.823 . . . . 0.0 114.681 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 23.6 m -59.11 -53.21 60.88 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.161 1.385 . . . . 0.0 111.839 176.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 5.4 t -61.21 -53.68 53.87 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.286 1.834 . . . . 0.0 110.344 178.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -44.91 -60.4 2.07 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.4 1.88 . . . . 0.0 112.109 176.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 89.2 mttt -57.43 -56.74 18.0 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.1 0.96 . . . . 0.0 111.272 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 45.5 tpp -56.16 -39.11 71.81 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.677 1.191 . . . . 0.0 113.953 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -53.38 -41.12 65.57 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.055 -1.028 . . . . 0.0 113.02 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -56.93 -51.76 67.89 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 119.338 0.972 . . . . 0.0 111.971 178.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 30.5 m -71.72 -32.23 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 24.3 t -62.22 -46.79 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 O-C-N 121.19 -0.944 . . . . 0.0 109.838 174.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -62.98 -25.61 68.45 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.243 1.017 . . . . 0.0 112.366 175.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 13.2 t60 -71.67 -64.69 0.88 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.919 0.888 . . . . 0.0 110.765 175.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 14.9 t -54.06 -35.34 61.93 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -175.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -70.93 -11.65 61.09 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.911 1.448 . . . . 0.0 114.911 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -128.22 -10.49 3.39 Favored Glycine 0 CA--C 1.541 1.667 0 C-N-CA 125.277 1.418 . . . . 0.0 116.337 -178.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 45.9 t -57.69 131.82 51.4 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 119.189 1.494 . . . . 0.0 112.102 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -81.61 -6.5 59.06 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.034 1.734 . . . . 0.0 114.823 -176.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -127.66 -36.8 2.02 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 28.8 mtmm 48.93 -159.85 0.05 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.69 1.996 . . . . 0.0 113.699 -178.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 37.7 p -58.22 -30.06 66.2 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.889 1.275 . . . . 0.0 112.69 176.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 35.4 t30 -59.2 -41.49 88.67 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.816 1.246 . . . . 0.0 111.613 176.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -90.02 -2.53 74.55 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 125.524 1.535 . . . . 0.0 113.813 175.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 88.12 19.0 54.7 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 125.802 1.668 . . . . 0.0 116.094 177.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 8.0 t -57.36 114.47 8.29 Favored Pre-proline 0 CA--C 1.554 1.109 0 CA-C-N 119.109 1.454 . . . . 0.0 113.161 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.83 -41.95 72.13 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 124.0 3.133 . . . . 0.0 114.701 -178.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 31.8 t -58.5 -54.63 30.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 124.115 0.966 . . . . 0.0 110.45 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 34.0 m -59.01 -45.77 89.85 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.431 1.492 . . . . 0.0 110.405 177.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1821 ' ' LYS . . . . . 0.426 ' O ' ' HE2' ' A' 1821 ' ' LYS . 0.0 OUTLIER -54.63 -47.67 73.18 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.394 1.078 . . . . 0.0 110.597 176.39 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -54.74 -49.2 71.39 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.051 0.841 . . . . 0.0 111.472 176.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1823 ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' 1823 ' ' LEU . 28.5 mt -64.39 -43.44 94.46 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 119.162 -0.447 . . . . 0.0 111.887 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 27.4 mm -66.1 -35.2 74.46 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 119.072 0.851 . . . . 0.0 111.291 175.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -61.3 -54.31 45.52 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.682 1.193 . . . . 0.0 111.256 176.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 8.6 mp -64.26 -38.36 90.78 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.25 0.62 . . . . 0.0 111.034 177.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 42.8 t -60.68 -44.6 96.29 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.603 -0.686 . . . . 0.0 111.072 174.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 42.1 t -58.37 -51.23 70.67 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.211 1.004 . . . . 0.0 110.554 176.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 29.8 t80 -56.31 -45.61 80.19 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.528 0.731 . . . . 0.0 111.4 176.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 42.6 t60 -58.66 -60.02 4.48 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.876 0.87 . . . . 0.0 110.556 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -55.58 -30.24 60.5 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.172 1.789 . . . . 0.0 114.589 -178.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -57.37 -45.36 84.52 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.578 1.551 . . . . 0.0 110.764 176.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 43.7 m80 -89.87 -29.74 18.37 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.649 1.98 . . . . 0.0 114.371 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 26.8 t -64.18 155.55 31.37 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.601 1.561 . . . . 0.0 113.721 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -143.56 1.48 1.19 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 127.397 2.279 . . . . 0.0 113.497 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.49 122.34 19.49 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 120.389 -1.444 . . . . 0.0 111.366 -178.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 33.6 t30 -64.64 -25.64 68.04 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -129.73 35.08 4.22 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.347 2.259 . . . . 0.0 112.243 -178.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 7.2 t -45.43 131.99 6.1 Favored Pre-proline 0 CA--C 1.555 1.143 0 C-N-CA 126.367 1.867 . . . . 0.0 112.787 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -64.39 -23.19 65.44 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.285 2.657 . . . . 0.0 115.102 -177.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 88.6 t -66.54 115.89 28.8 Favored Pre-proline 0 N--CA 1.476 0.873 0 C-N-CA 124.853 1.261 . . . . 0.0 109.615 177.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -48.2 -52.27 8.62 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 124.351 3.367 . . . . 0.0 116.383 -176.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -80.74 -20.07 43.58 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -177.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 42.0 t -48.0 -63.09 1.16 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.419 1.487 . . . . 0.0 112.46 -177.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 58.2 mt -54.57 -36.02 63.92 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.325 1.05 . . . . 0.0 113.465 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 54.3 t30 -64.53 -46.73 81.6 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.869 0.759 . . . . 0.0 109.987 175.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 8.5 mm -59.25 -50.03 81.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 175.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -54.21 -44.37 71.57 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 119.284 0.947 . . . . 0.0 111.599 177.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 59.6 t60 -60.41 -48.48 81.56 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.031 0.932 . . . . 0.0 111.323 177.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 9.4 mptt -57.56 -46.26 84.17 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.785 1.634 . . . . 0.0 111.14 175.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 6.5 mp -58.93 -40.43 84.55 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.156 1.382 . . . . 0.0 112.076 176.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 54.0 mmm-85 -64.92 -15.62 62.29 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 176.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -80.83 -6.31 58.41 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.325 0.966 . . . . 0.0 113.396 177.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -131.04 177.03 7.76 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.202 1.801 . . . . 0.0 112.583 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 11.8 pt20 . . . . . 0 N--CA 1.472 0.662 0 C-N-CA 124.739 1.216 . . . . 0.0 113.22 179.396 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 43.2 m . . . . . 0 N--CA 1.47 0.569 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -67.83 -17.66 64.58 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.419 1.488 . . . . 0.0 114.101 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -147.4 163.19 37.26 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.391 1.877 . . . . 0.0 111.618 178.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.53 141.1 92.77 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 124.139 0.975 . . . . 0.0 112.207 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -72.24 -62.63 0.04 OUTLIER 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 123.362 2.708 . . . . 0.0 112.32 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -163.39 176.1 10.16 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 128.26 2.624 . . . . 0.0 110.218 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -145.25 117.86 5.31 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 125.101 1.36 . . . . 0.0 109.432 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -49.68 -30.86 23.5 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 123.734 2.956 . . . . 0.0 115.988 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -72.68 -20.47 61.23 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.49 1.116 . . . . 0.0 113.519 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -58.7 -33.84 70.62 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -175.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.25 -35.56 79.32 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.549 1.139 . . . . 0.0 111.437 178.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.23 -19.86 59.54 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.996 0.919 . . . . 0.0 112.811 176.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 17.0 t -79.06 -50.48 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 123.64 0.776 . . . . 0.0 109.117 175.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 72.9 m -47.26 -45.85 24.12 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.071 1.748 . . . . 0.0 115.601 -178.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -61.27 -25.39 67.06 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 7.1 mt -90.13 -53.9 8.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 C-N-CA 126.456 1.902 . . . . 0.0 108.505 177.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -157.41 114.11 1.89 Allowed Pre-proline 0 CA--C 1.554 1.114 0 C-N-CA 127.058 2.143 . . . . 0.0 111.772 177.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -77.24 175.83 10.86 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 123.104 2.536 . . . . 0.0 112.167 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -75.13 -20.5 59.37 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.968 -1.083 . . . . 0.0 113.062 178.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 31.4 p -71.1 -46.91 60.82 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.015 1.726 . . . . 0.0 113.92 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 33.5 m -139.74 149.83 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.519 1.528 . . . . 0.0 112.106 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 83.5 mtp -79.85 65.2 4.94 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.89 0.876 . . . . 0.0 111.077 176.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 10.6 tp -57.06 -17.01 8.57 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.429 1.492 . . . . 0.0 112.888 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.75 -29.31 11.12 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.803 2.041 . . . . 0.0 113.447 174.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 4.1 p -73.99 -8.73 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.005 1.322 . . . . 0.0 113.652 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -134.6 -25.37 1.48 Allowed 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -74.79 156.7 36.25 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.494 1.117 . . . . 0.0 112.522 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -124.23 155.88 18.19 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.997 1.761 . . . . 0.0 112.471 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 53.2 mt -128.33 121.81 56.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.26 1.424 . . . . 0.0 110.764 -176.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -80.86 65.57 6.05 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.572 1.549 . . . . 0.0 111.55 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -47.25 -32.51 4.64 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.124 2.17 . . . . 0.0 112.613 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 47.6 mt -54.47 -13.95 1.11 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 127.985 2.514 . . . . 0.0 114.418 177.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.3 t -63.28 -12.57 30.22 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.933 2.093 . . . . 0.0 114.773 177.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -60.02 159.88 18.72 Favored Pre-proline 0 CA--C 1.556 1.181 0 C-N-CA 125.382 1.473 . . . . 0.0 112.193 178.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -63.05 116.68 3.72 Favored 'Trans proline' 0 CA--C 1.549 1.249 0 C-N-CA 123.005 2.47 . . . . 0.0 112.144 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -76.51 177.27 9.02 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.79 2.994 . . . . 0.0 113.374 -177.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -138.14 155.92 74.12 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 126.103 1.761 . . . . 0.0 111.61 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -74.04 -4.12 14.9 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 123.806 3.004 . . . . 0.0 114.998 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -71.83 -5.0 60.16 Favored Glycine 0 CA--C 1.539 1.583 0 N-CA-C 116.611 1.404 . . . . 0.0 116.611 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 58.7 m -66.77 147.85 98.93 Favored Pre-proline 0 N--CA 1.472 0.628 0 CA-C-N 119.229 1.514 . . . . 0.0 111.687 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -75.36 -11.14 20.85 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 122.706 2.271 . . . . 0.0 113.954 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 N--CA 1.471 0.591 0 C-N-CA 126.734 2.013 . . . . 0.0 112.518 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 12.5 t . . . . . 0 CA--C 1.541 0.603 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -66.41 -33.62 37.24 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 122.874 2.383 . . . . 0.0 111.663 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -67.47 -48.56 66.81 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.532 1.133 . . . . 0.0 109.869 176.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -61.91 -44.86 95.91 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.244 0.618 . . . . 0.0 111.477 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 64.0 m -55.23 -45.18 75.97 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.763 0.825 . . . . 0.0 111.244 177.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 75.7 mtt85 -66.88 -47.13 72.8 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.784 1.234 . . . . 0.0 111.481 176.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 43.8 ttm105 -54.53 -43.95 72.39 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.441 1.497 . . . . 0.0 111.812 176.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.7 mp -67.94 -46.6 71.03 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.055 1.342 . . . . 0.0 110.939 176.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 74.0 m -58.06 -46.42 85.44 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.507 0.723 . . . . 0.0 111.412 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 34.3 mt -56.03 -61.23 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 126.672 1.989 . . . . 0.0 110.477 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -60.97 -38.33 85.57 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -177.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 19.3 mmt85 -61.49 -52.18 65.58 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.974 0.909 . . . . 0.0 110.15 175.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 37.3 t -55.9 -41.15 74.06 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.639 0.775 . . . . 0.0 111.068 175.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 53.6 mt -62.01 -32.77 55.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 O-C-N 121.134 -0.979 . . . . 0.0 112.823 176.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -62.32 -44.27 96.9 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.766 1.621 . . . . 0.0 110.076 174.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 22.0 m -63.38 -39.18 93.83 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.019 1.328 . . . . 0.0 111.796 176.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.27 -51.69 68.47 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.518 1.527 . . . . 0.0 110.072 176.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 80.9 t -56.42 -50.06 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.133 176.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 19.2 t60 -51.5 -59.41 4.28 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.951 0.796 . . . . 0.0 110.731 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.27 -26.44 60.82 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 91.6 m -81.9 -13.54 57.41 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 176.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -120.04 -13.93 8.94 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 14.7 t -58.25 123.97 17.86 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.202 1.801 . . . . 0.0 111.661 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -73.82 -7.06 50.74 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.767 2.027 . . . . 0.0 116.366 -176.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 27.3 t30 -140.23 114.99 9.53 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.598 1.159 . . . . 0.0 112.465 -176.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.95 -15.07 19.08 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 177.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -95.45 10.15 37.48 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 126.678 1.991 . . . . 0.0 113.672 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 46.5 t -44.52 137.37 3.78 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 127.369 2.267 . . . . 0.0 113.899 -178.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 20.2 m -78.82 -9.77 59.57 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.544 1.537 . . . . 0.0 114.928 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 1.7 tm? -70.55 115.67 37.56 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 126.063 1.745 . . . . 0.0 109.721 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -48.69 -41.31 38.12 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.505 2.804 . . . . 0.0 115.04 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 2.4 m -68.49 -35.9 78.16 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.399 0.68 . . . . 0.0 112.753 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 26.0 t -63.63 -51.22 66.17 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.133 1.373 . . . . 0.0 108.421 175.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -53.01 -48.82 67.25 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.948 1.299 . . . . 0.0 111.509 175.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 87.5 mttt -57.12 -51.4 69.46 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.863 1.265 . . . . 0.0 111.27 175.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -41.93 75.35 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.063 0.945 . . . . 0.0 112.741 177.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -52.45 -30.78 31.39 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 117.639 -1.172 . . . . 0.0 113.469 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -63.51 -59.74 4.26 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 119.994 1.27 . . . . 0.0 111.17 175.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 35.9 m -65.01 -32.95 60.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 53.6 t -62.85 -46.98 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.113 0.965 . . . . 0.0 109.611 174.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.06 -30.17 70.8 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.593 1.157 . . . . 0.0 111.87 175.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 9.4 t60 -71.28 -65.65 0.72 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.059 0.944 . . . . 0.0 111.082 177.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 7.3 t -54.75 -33.64 61.5 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -175.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -70.13 -11.96 61.26 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 177.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -135.61 -0.13 3.32 Favored Glycine 0 CA--C 1.538 1.476 0 N-CA-C 116.862 1.505 . . . . 0.0 116.862 -177.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 44.2 t -57.28 130.05 44.49 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.564 1.682 . . . . 0.0 112.717 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -74.91 -10.44 59.5 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.872 1.669 . . . . 0.0 114.339 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -130.3 -33.04 1.73 Allowed 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -178.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1812 ' ' LYS . . . . . 0.401 ' HG2' ' H ' ' A' 1813 ' ' THR . 21.6 tttp 51.9 -161.74 0.09 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.361 1.864 . . . . 0.0 113.123 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . 0.401 ' H ' ' HG2' ' A' 1812 ' ' LYS . 17.6 p -60.44 -28.4 68.27 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.494 -1.379 . . . . 0.0 112.452 175.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 33.9 t30 -58.59 -42.69 88.65 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.963 1.305 . . . . 0.0 111.623 176.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -89.22 -3.71 75.35 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 125.178 1.37 . . . . 0.0 114.028 176.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 88.26 22.15 42.3 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 125.532 1.539 . . . . 0.0 115.907 177.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 8.0 t -57.77 122.88 60.08 Favored Pre-proline 0 CA--C 1.554 1.12 0 CA-C-N 118.799 1.299 . . . . 0.0 112.947 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.69 -44.11 48.44 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 123.257 2.638 . . . . 0.0 114.491 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 11.8 t -60.58 -56.13 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 123.852 0.861 . . . . 0.0 110.761 -177.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 17.4 m -53.81 -49.77 67.62 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 126.178 1.791 . . . . 0.0 110.018 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.81 -48.73 77.3 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 118.894 0.77 . . . . 0.0 111.429 176.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -59.83 -44.07 94.23 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.858 0.863 . . . . 0.0 112.232 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1823 ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' 1823 ' ' LEU . 7.7 mt -62.44 -54.05 45.87 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.723 0.692 . . . . 0.0 110.479 175.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 36.3 mm -55.71 -38.79 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 124.033 0.933 . . . . 0.0 111.818 178.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -57.71 -52.77 64.07 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.757 1.162 . . . . 0.0 111.334 176.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.75 -45.44 89.83 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.831 1.252 . . . . 0.0 111.55 177.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 99.2 m -58.44 -39.35 79.59 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.897 0.771 . . . . 0.0 111.216 174.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 49.8 t -67.46 -48.04 68.38 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.406 1.083 . . . . 0.0 111.297 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 5.7 t80 -58.19 -40.46 81.6 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.402 0.546 . . . . 0.0 110.749 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 39.9 t60 -61.26 -58.59 7.68 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.061 0.944 . . . . 0.0 110.078 173.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -52.5 -33.71 46.24 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.815 1.646 . . . . 0.0 114.297 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -54.6 -48.76 71.78 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.357 1.863 . . . . 0.0 111.121 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -90.24 -21.13 22.27 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.875 1.67 . . . . 0.0 114.875 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 6.7 t -63.94 165.02 9.39 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.629 1.171 . . . . 0.0 113.964 -178.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -151.59 -6.65 0.24 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.258 1.823 . . . . 0.0 115.393 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -72.63 122.49 21.5 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.753 -1.217 . . . . 0.0 112.164 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 35.1 t30 -64.74 -17.86 64.52 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -136.28 42.67 2.54 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.947 2.099 . . . . 0.0 112.324 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 10.7 t -53.46 136.46 52.02 Favored Pre-proline 0 CA--C 1.559 1.29 0 C-N-CA 125.438 1.495 . . . . 0.0 111.791 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -64.27 -25.14 64.67 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 123.309 2.673 . . . . 0.0 114.841 -177.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 91.0 t -68.2 118.53 59.98 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 124.392 1.077 . . . . 0.0 108.744 177.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -65.24 -36.14 37.7 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.687 2.258 . . . . 0.0 114.1 -175.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -76.51 -29.34 56.74 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 44.4 t -48.85 -64.97 0.65 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.691 1.596 . . . . 0.0 111.393 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 1.3 mp -50.49 -42.88 55.25 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 126.244 1.818 . . . . 0.0 113.347 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -62.39 -48.78 78.23 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.718 0.807 . . . . 0.0 110.38 177.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 8.3 mm -58.49 -45.16 90.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-O 118.338 -0.839 . . . . 0.0 110.794 175.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 65.3 mttt -51.65 -45.37 63.33 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-N 120.147 1.339 . . . . 0.0 111.62 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 50.7 t60 -59.76 -50.86 72.16 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.403 0.681 . . . . 0.0 110.941 176.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 14.2 mptt -56.34 -42.1 77.15 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.917 0.887 . . . . 0.0 111.759 176.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.6 mp -61.28 -42.54 98.81 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.597 1.559 . . . . 0.0 112.072 176.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -71.61 -30.23 65.56 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 176.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -67.85 -11.69 59.11 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.67 1.188 . . . . 0.0 113.72 179.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -66.28 -14.62 62.28 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.036 1.335 . . . . 0.0 113.625 177.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 15.4 pt20 . . . . . 0 CA--C 1.54 0.576 0 C-N-CA 126.282 1.833 . . . . 0.0 113.056 179.931 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 80.6 p . . . . . 0 N--CA 1.472 0.672 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -61.57 139.44 58.26 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.388 1.475 . . . . 0.0 112.275 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 64.1 mtt -97.21 16.1 20.83 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.658 1.583 . . . . 0.0 114.319 -177.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -139.18 162.42 52.17 Favored Pre-proline 0 CA--C 1.541 0.63 0 C-N-CA 127.082 2.153 . . . . 0.0 111.577 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -77.14 -179.65 5.63 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 124.495 3.463 . . . . 0.0 106.477 169.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -118.07 166.41 12.58 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 124.364 1.066 . . . . 0.0 110.479 174.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -150.44 133.62 8.63 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 124.526 1.13 . . . . 0.0 110.22 -178.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -65.8 -14.61 45.47 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 122.832 2.355 . . . . 0.0 115.254 -176.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -90.45 -16.98 27.96 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.992 0.917 . . . . 0.0 113.251 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -57.96 -32.15 67.56 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -174.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -64.91 -48.04 75.6 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.996 1.318 . . . . 0.0 111.103 177.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.12 -24.53 67.45 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.307 1.043 . . . . 0.0 113.079 177.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 64.1 t -80.98 -48.61 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.724 1.21 . . . . 0.0 109.783 175.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 12.2 t -46.14 -46.34 17.12 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.72 2.008 . . . . 0.0 114.409 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -62.44 -24.71 67.58 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 178.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 11.3 mt -90.03 -53.08 9.73 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 127.135 2.174 . . . . 0.0 108.524 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -155.08 108.61 2.28 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 127.47 2.308 . . . . 0.0 111.786 176.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -79.21 177.92 8.06 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 122.998 2.465 . . . . 0.0 111.396 177.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -75.22 -30.12 60.48 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -177.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 23.5 m -71.61 -39.92 70.14 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -176.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.9 m -143.49 157.3 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.834 1.254 . . . . 0.0 113.0 -177.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 51.1 ttm -80.46 66.69 6.05 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.388 1.075 . . . . 0.0 110.336 175.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 40.5 tp -58.41 -21.85 52.13 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.65 1.18 . . . . 0.0 112.858 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.37 -40.37 49.31 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.114 1.366 . . . . 0.0 114.188 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 35.0 m -67.17 -8.97 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 CA-C-N 120.642 1.564 . . . . 0.0 113.477 177.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -116.59 3.88 13.15 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 128.099 2.559 . . . . 0.0 112.713 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -130.79 174.44 9.96 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.772 1.629 . . . . 0.0 113.12 -173.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.62 162.99 31.92 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 126.023 1.773 . . . . 0.0 112.295 177.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 66.7 mt -123.08 115.12 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 125.873 1.669 . . . . 0.0 108.785 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -77.99 56.85 1.66 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.341 1.056 . . . . 0.0 112.754 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 10.5 tt -52.21 -30.55 27.81 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.938 1.295 . . . . 0.0 112.419 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 48.1 mt -47.86 -21.34 0.4 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 128.735 2.814 . . . . 0.0 114.261 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.1 t -63.08 -20.07 65.0 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.095 1.758 . . . . 0.0 113.39 175.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -56.48 151.02 31.23 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 125.383 1.473 . . . . 0.0 114.07 -178.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -69.93 164.12 35.88 Favored 'Trans proline' 0 CA--C 1.549 1.255 0 C-N-CA 123.196 2.597 . . . . 0.0 112.688 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -51.41 -30.28 34.05 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 124.262 3.308 . . . . 0.0 116.289 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -147.9 153.46 42.33 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 125.737 1.615 . . . . 0.0 111.241 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -72.48 -10.15 25.03 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 123.574 2.85 . . . . 0.0 114.205 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.66 -179.83 42.93 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 126.552 2.025 . . . . 0.0 111.951 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 50.3 m -57.25 116.89 15.05 Favored Pre-proline 0 N--CA 1.473 0.717 0 C-N-CA 125.281 1.432 . . . . 0.0 112.107 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -75.07 -14.85 20.88 Favored 'Trans proline' 0 CA--C 1.543 0.935 0 C-N-CA 123.034 2.489 . . . . 0.0 114.336 -178.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 N--CA 1.472 0.636 0 C-N-CA 125.299 1.439 . . . . 0.0 112.409 179.746 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 C--O 1.24 0.592 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -67.28 -29.14 39.15 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.893 2.395 . . . . 0.0 111.742 177.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -74.4 -44.42 52.12 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.954 0.902 . . . . 0.0 110.432 176.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.54 -55.88 23.19 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.866 0.867 . . . . 0.0 111.657 178.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 45.3 p -54.84 -41.28 70.53 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.372 0.669 . . . . 0.0 112.4 178.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -60.9 -55.05 37.61 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.975 1.71 . . . . 0.0 111.245 175.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -59.43 -32.82 70.55 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.907 1.683 . . . . 0.0 112.66 178.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.5 mp -74.88 -46.39 36.51 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.915 0.886 . . . . 0.0 110.332 175.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 59.0 m -61.67 -47.67 84.26 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.636 0.774 . . . . 0.0 112.657 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 16.6 tt -57.07 -49.96 77.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.744 0.818 . . . . 0.0 111.498 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -66.5 -41.98 88.09 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.063 0.847 . . . . 0.0 112.484 178.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 72.2 mmt-85 -57.07 -46.53 82.43 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.465 1.03 . . . . 0.0 111.572 176.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 42.9 t -61.96 -40.93 97.26 Favored 'General case' 0 CA--C 1.543 0.712 0 O-C-N 122.014 -0.429 . . . . 0.0 110.74 174.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 45.0 mt -60.71 -36.65 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.091 0.956 . . . . 0.0 112.483 176.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -58.01 -45.67 86.52 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 120.693 1.588 . . . . 0.0 109.982 173.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 52.9 m -68.12 -31.13 70.51 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 58.6 tp -62.72 -50.86 69.44 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.332 1.053 . . . . 0.0 109.492 174.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 92.6 t -56.08 -48.48 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 123.7 0.8 . . . . 0.0 109.929 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 28.3 t60 -52.96 -59.66 4.25 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.756 0.822 . . . . 0.0 110.749 176.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -56.25 -31.01 63.16 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 88.9 m -71.87 -16.33 62.14 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 177.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -118.45 -15.58 9.63 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.064 1.346 . . . . 0.0 114.194 177.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 11.9 t -51.41 113.69 1.03 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.503 2.321 . . . . 0.0 112.503 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -69.39 -20.06 63.82 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.752 2.021 . . . . 0.0 115.239 -175.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 34.0 t30 -123.34 110.52 15.27 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.256 1.423 . . . . 0.0 112.429 -176.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -56.95 -17.54 10.04 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 178.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -90.54 -0.01 57.51 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.809 1.644 . . . . 0.0 114.384 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 48.6 t -40.86 108.66 0.09 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 127.256 2.222 . . . . 0.0 112.468 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 79.6 p -71.22 1.48 5.97 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 116.908 2.188 . . . . 0.0 116.908 -173.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 20.9 tp -60.96 123.74 76.7 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 124.857 1.263 . . . . 0.0 108.704 177.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -45.13 -44.65 15.32 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.502 2.802 . . . . 0.0 114.935 -177.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 37.3 m -71.04 -42.18 69.84 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 5.6 t -58.7 -45.83 88.65 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.922 1.289 . . . . 0.0 109.528 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -50.58 -47.39 57.95 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.793 1.237 . . . . 0.0 112.235 175.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -66.51 -51.95 51.16 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 119.344 0.975 . . . . 0.0 111.09 177.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 53.0 tpp -53.7 -41.76 67.29 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 126.283 1.833 . . . . 0.0 113.229 -177.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.72 -47.77 50.36 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.339 1.456 . . . . 0.0 112.865 178.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -60.07 -47.24 86.7 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 118.984 0.811 . . . . 0.0 112.337 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 2.6 t -69.77 -43.37 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.802 0.841 . . . . 0.0 112.53 -177.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 8.2 p -64.91 -37.64 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 119.272 0.942 . . . . 0.0 110.904 176.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -64.22 -27.97 69.42 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.022 0.929 . . . . 0.0 112.1 174.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.6 t60 -70.6 -66.92 0.54 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.906 0.882 . . . . 0.0 109.862 175.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 4.9 t -56.11 -34.59 66.18 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -174.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -66.77 -13.34 61.34 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 178.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -137.33 3.0 3.25 Favored Glycine 0 CA--C 1.538 1.495 0 N-CA-C 116.424 1.33 . . . . 0.0 116.424 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 49.5 t -57.47 129.36 41.47 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.226 1.513 . . . . 0.0 112.997 -178.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 23.1 tptm -70.68 -16.92 62.84 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.799 1.64 . . . . 0.0 112.411 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 39.6 ttm105 -107.33 -58.85 1.9 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.479 1.912 . . . . 0.0 111.858 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 32.9 tttt 53.52 -171.88 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 127.389 2.275 . . . . 0.0 113.2 -176.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 25.5 p -58.5 -31.08 67.55 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 120.399 -1.438 . . . . 0.0 112.568 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 38.9 t30 -58.22 -35.43 71.66 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.036 1.335 . . . . 0.0 112.229 175.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -101.51 4.75 54.38 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 126.094 1.807 . . . . 0.0 113.965 177.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 83.95 18.15 63.84 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 125.237 1.398 . . . . 0.0 116.376 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 10.4 t -57.67 115.2 10.15 Favored Pre-proline 0 CA--C 1.553 1.073 0 CA-C-N 119.459 1.63 . . . . 0.0 112.114 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -56.9 -44.69 42.32 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.211 2.607 . . . . 0.0 114.096 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 58.6 t -54.44 -60.09 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.423 1.489 . . . . 0.0 111.358 -178.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 35.2 m -52.49 -46.71 66.7 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.967 1.707 . . . . 0.0 110.972 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -47.83 81.61 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.642 1.177 . . . . 0.0 110.926 176.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -60.0 -41.95 93.22 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.472 1.033 . . . . 0.0 112.063 178.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.71 -49.68 69.9 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 118.53 0.605 . . . . 0.0 110.855 177.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 61.9 mt -62.47 -30.36 48.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 125.021 1.329 . . . . 0.0 112.087 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -57.1 -47.2 81.64 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.926 1.239 . . . . 0.0 111.104 175.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 9.1 mp -68.36 -36.25 78.94 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.738 0.815 . . . . 0.0 111.077 176.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 82.6 m -60.53 -40.32 91.07 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.606 0.639 . . . . 0.0 110.734 174.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 93.7 m -64.26 -49.33 72.29 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.102 0.961 . . . . 0.0 111.024 176.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 42.1 t80 -58.92 -40.95 86.1 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.234 0.613 . . . . 0.0 111.524 177.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 47.4 t60 -60.92 -58.62 7.68 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.173 0.989 . . . . 0.0 110.173 174.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -54.51 -30.22 52.82 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.57 1.548 . . . . 0.0 114.746 -178.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -57.68 -44.71 85.96 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.222 1.409 . . . . 0.0 111.033 177.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 46.3 m80 -90.07 -30.09 17.93 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.552 1.941 . . . . 0.0 113.975 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 14.3 t -65.44 156.5 32.18 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.159 1.384 . . . . 0.0 113.311 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -142.64 -3.8 1.0 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.823 2.049 . . . . 0.0 113.875 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -72.29 119.01 15.89 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.639 -1.288 . . . . 0.0 111.62 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.78 -17.11 63.9 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 -178.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -132.67 32.8 3.82 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.59 1.956 . . . . 0.0 113.269 -177.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 13.4 t -50.71 136.83 25.41 Favored Pre-proline 0 CA--C 1.557 1.232 0 C-N-CA 126.484 1.914 . . . . 0.0 112.302 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -64.63 -24.03 63.1 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 123.343 2.695 . . . . 0.0 114.788 -177.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 94.3 t -66.05 123.97 86.54 Favored Pre-proline 0 N--CA 1.475 0.799 0 C-N-CA 124.221 1.009 . . . . 0.0 109.047 177.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -63.13 -47.91 7.32 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 123.011 2.474 . . . . 0.0 114.68 -174.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -73.08 -29.33 62.87 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 114.052 1.131 . . . . 0.0 114.052 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 41.4 t -42.37 -66.16 0.39 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.261 1.825 . . . . 0.0 112.641 -177.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 57.6 mt -53.52 -38.63 63.93 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.911 1.285 . . . . 0.0 113.912 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 51.9 t30 -63.61 -50.21 70.29 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.857 0.753 . . . . 0.0 109.626 175.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 13.1 mm -57.18 -47.89 83.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-O 118.926 -0.559 . . . . 0.0 110.573 177.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -53.04 -44.17 67.19 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.582 1.083 . . . . 0.0 111.647 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 33.2 t60 -62.67 -48.86 77.49 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.188 0.595 . . . . 0.0 111.187 175.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -56.92 -31.29 64.77 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.937 1.695 . . . . 0.0 112.297 176.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 5.0 mp -78.1 -44.97 24.68 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.198 1.799 . . . . 0.0 112.117 176.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -66.99 -33.08 74.79 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -69.85 -11.88 61.2 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -64.56 -20.03 65.99 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.905 1.282 . . . . 0.0 112.954 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 . . . . . 0 N--CA 1.473 0.719 0 C-N-CA 127.756 2.423 . . . . 0.0 114.05 177.02 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 79.8 p . . . . . 0 N--CA 1.471 0.585 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -144.06 8.2 1.43 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.784 1.634 . . . . 0.0 114.534 -176.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 67.2 mtt -79.93 3.29 20.37 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.834 1.79 . . . . 0.0 115.834 -178.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.31 152.36 73.31 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 125.88 1.672 . . . . 0.0 111.485 176.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -70.48 -77.48 0.01 OUTLIER 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 123.414 2.743 . . . . 0.0 112.363 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -165.51 173.74 10.66 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 127.287 2.235 . . . . 0.0 110.807 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -149.63 149.46 28.46 Favored Pre-proline 0 CA--C 1.544 0.736 0 C-N-CA 125.709 1.604 . . . . 0.0 109.849 175.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -72.25 -8.69 23.2 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 122.383 2.055 . . . . 0.0 114.866 -176.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -93.06 -17.85 23.34 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -178.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -62.4 -30.34 71.14 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.832 1.197 . . . . 0.0 113.439 -173.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -70.26 -27.11 64.18 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.518 1.527 . . . . 0.0 112.008 175.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.71 -33.14 17.63 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.646 1.578 . . . . 0.0 112.391 177.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 98.0 t -76.53 -51.16 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.713 1.205 . . . . 0.0 111.119 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 44.1 m -56.55 -34.9 67.52 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 -176.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -67.3 -22.41 65.63 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 121.605 -0.684 . . . . 0.0 112.84 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 13.2 mt -90.14 -51.74 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 126.208 1.803 . . . . 0.0 109.35 176.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -152.09 101.6 2.82 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 127.695 2.398 . . . . 0.0 112.777 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -80.92 179.69 5.79 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 123.492 2.794 . . . . 0.0 112.053 177.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -77.21 -20.66 55.01 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.833 -1.167 . . . . 0.0 113.81 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 25.2 p -73.41 -47.28 43.06 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.726 1.61 . . . . 0.0 113.848 -178.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.8 m -141.52 155.41 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.916 1.687 . . . . 0.0 112.329 -178.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 47.2 ttm -82.43 65.65 7.65 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.671 0.788 . . . . 0.0 110.038 175.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 57.5 tp -50.69 -23.66 2.81 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 126.662 1.985 . . . . 0.0 113.6 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.09 -24.18 24.3 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.043 1.337 . . . . 0.0 113.284 174.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.6 p -72.7 -16.73 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 O-C-N 121.207 -0.933 . . . . 0.0 112.349 176.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -111.33 -38.22 5.05 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.669 1.988 . . . . 0.0 112.741 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -65.3 153.12 42.04 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.32 1.848 . . . . 0.0 113.974 -177.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -137.92 86.67 0.22 Allowed Glycine 0 CA--C 1.531 1.079 0 C-N-CA 127.149 2.309 . . . . 0.0 109.874 178.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 83.7 mt -58.14 130.94 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 125.803 1.641 . . . . 0.0 111.782 -176.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -72.41 45.71 0.14 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.643 2.377 . . . . 0.0 113.863 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 63.3 tp -55.94 -26.28 47.13 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 120.653 -1.279 . . . . 0.0 110.652 172.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.2 tp -46.71 -21.74 0.23 Allowed 'General case' 0 CA--C 1.554 1.107 1 C-N-CA 132.111 4.164 . . . . 0.0 112.617 170.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.6 t -62.28 -15.97 50.87 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.969 1.707 . . . . 0.0 114.611 176.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -59.17 149.47 67.49 Favored Pre-proline 0 CA--C 1.553 1.06 0 C-N-CA 124.473 1.109 . . . . 0.0 113.761 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -73.34 154.49 51.12 Favored 'Trans proline' 0 CA--C 1.547 1.126 0 C-N-CA 122.91 2.406 . . . . 0.0 112.528 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -73.9 168.12 25.55 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 123.476 2.784 . . . . 0.0 112.964 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.37 155.67 90.27 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 124.51 1.124 . . . . 0.0 112.015 177.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -72.14 -10.93 26.58 Favored 'Trans proline' 0 CA--C 1.546 1.091 0 C-N-CA 123.477 2.784 . . . . 0.0 114.217 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 179.99 -46.03 0.08 OUTLIER Glycine 0 CA--C 1.533 1.212 0 C-N-CA 126.274 1.892 . . . . 0.0 112.05 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 42.4 t -150.11 142.01 15.34 Favored Pre-proline 0 N--CA 1.47 0.555 0 C-N-CA 126.532 1.933 . . . . 0.0 110.243 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -72.34 -16.63 27.8 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 122.822 2.348 . . . . 0.0 112.907 177.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 . . . . . 0 C--O 1.24 0.557 0 C-N-CA 124.802 1.241 . . . . 0.0 111.963 179.369 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 67.3 m . . . . . 0 CA--C 1.542 0.649 0 CA-C-O 119.322 -0.37 . . . . 0.0 111.766 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -49.62 -36.74 41.69 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 124.575 3.516 . . . . 0.0 115.099 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -63.77 -46.0 87.26 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.421 1.089 . . . . 0.0 111.307 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -65.57 -50.27 65.75 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.41 1.084 . . . . 0.0 111.263 177.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 87.2 p -59.33 -39.34 82.82 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.005 0.821 . . . . 0.0 111.754 178.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -61.82 -51.87 66.5 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.101 0.96 . . . . 0.0 110.795 173.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 44.2 ttm105 -56.08 -41.8 75.71 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.621 1.568 . . . . 0.0 112.295 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 7.6 mp -67.22 -42.31 84.28 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.496 1.118 . . . . 0.0 110.68 175.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 48.9 m -63.46 -42.8 98.63 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.477 -0.765 . . . . 0.0 111.469 177.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 41.7 mt -55.83 -61.92 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 125.804 1.642 . . . . 0.0 110.138 176.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -59.78 -33.99 72.42 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -65.78 -54.88 21.18 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.035 0.934 . . . . 0.0 110.847 175.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 38.4 t -56.92 -36.02 69.71 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.639 0.654 . . . . 0.0 111.553 176.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 34.5 mt -58.88 -30.72 43.53 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 O-C-N 121.157 -0.965 . . . . 0.0 112.428 175.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -63.46 -47.23 82.7 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 120.431 1.468 . . . . 0.0 110.122 175.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 19.1 m -62.4 -37.61 86.45 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.964 1.306 . . . . 0.0 111.79 176.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.33 -52.77 63.85 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.952 1.301 . . . . 0.0 110.421 175.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 91.6 t -55.14 -50.08 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-O 118.562 -0.733 . . . . 0.0 110.087 177.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 31.3 t60 -52.76 -57.99 8.33 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.466 0.706 . . . . 0.0 110.843 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -55.06 -31.44 61.14 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 95.4 m -76.38 -13.93 60.1 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 178.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -119.56 -12.62 9.28 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.192 1.397 . . . . 0.0 114.092 178.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 8.8 t -63.55 120.55 11.94 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.878 1.671 . . . . 0.0 112.145 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -72.98 -6.9 48.45 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.145 1.778 . . . . 0.0 114.177 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 43.3 t30 -127.28 112.87 15.57 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.949 1.3 . . . . 0.0 112.744 -177.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -63.17 -11.15 18.53 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 176.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 14.4 m120 -118.13 28.51 8.33 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 127.259 2.224 . . . . 0.0 112.671 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 52.7 t -50.63 152.79 1.86 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.468 2.307 . . . . 0.0 112.637 178.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 17.7 m -80.51 -14.61 58.11 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 -177.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 18.0 tp -69.99 133.02 88.15 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-N 120.761 1.619 . . . . 0.0 109.558 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -63.56 -37.38 48.02 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 121.757 1.638 . . . . 0.0 113.243 -175.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 49.5 m -72.28 -38.43 68.8 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 38.1 t -57.79 -51.13 70.85 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.857 1.263 . . . . 0.0 109.918 177.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -47.67 -51.79 20.46 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.383 1.473 . . . . 0.0 112.471 176.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -72.84 -41.55 64.71 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.669 -0.644 . . . . 0.0 112.581 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 61.3 tpp -58.96 -40.63 85.34 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.57 1.148 . . . . 0.0 112.186 178.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -51.94 -39.71 59.63 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.097 0.959 . . . . 0.0 112.671 177.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -58.91 -55.95 28.52 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 119.18 0.9 . . . . 0.0 111.935 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 23.2 m -64.41 -35.45 74.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 118.853 0.752 . . . . 0.0 112.324 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 41.9 t -60.86 -49.35 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.708 0.803 . . . . 0.0 110.176 175.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -64.71 -26.73 68.5 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.872 0.869 . . . . 0.0 112.561 176.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 5.2 t60 -68.85 -66.88 0.52 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.023 0.929 . . . . 0.0 109.799 176.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 5.5 t -56.2 -34.76 66.56 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -174.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -68.95 -9.88 54.37 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -144.3 16.01 2.09 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 125.166 1.365 . . . . 0.0 115.874 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 43.1 t -57.34 145.72 31.39 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 118.851 1.326 . . . . 0.0 113.1 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -70.28 -18.87 63.13 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.235 1.414 . . . . 0.0 113.144 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -140.61 -26.62 0.74 Allowed 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 177.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1812 ' ' LYS . . . . . 0.449 ' HG2' ' H ' ' A' 1813 ' ' THR . 42.2 tttt 50.58 -163.06 0.05 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.501 1.92 . . . . 0.0 113.299 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . 0.449 ' H ' ' HG2' ' A' 1812 ' ' LYS . 19.9 p -59.86 -26.62 66.0 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 120.382 -1.449 . . . . 0.0 112.745 176.265 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 32.8 t30 -59.53 -43.87 93.35 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.852 1.261 . . . . 0.0 111.423 175.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -89.35 -7.16 69.99 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 124.989 1.281 . . . . 0.0 113.843 176.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 95.75 20.37 26.71 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.673 1.606 . . . . 0.0 116.162 177.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 10.0 t -54.97 113.42 5.38 Favored Pre-proline 0 CA--C 1.555 1.163 0 CA-C-N 119.152 1.476 . . . . 0.0 112.539 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -58.73 -36.26 97.39 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 123.184 2.589 . . . . 0.0 113.873 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 48.9 t -59.66 -62.16 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.17 1.388 . . . . 0.0 110.012 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 49.6 m -52.88 -48.85 66.84 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.149 1.779 . . . . 0.0 111.72 178.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -51.99 64.39 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.497 1.119 . . . . 0.0 111.053 178.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -65.02 -31.88 73.32 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.55 -50.15 64.09 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.341 0.973 . . . . 0.0 109.401 173.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 69.4 mt -62.42 -30.5 49.2 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 125.663 1.585 . . . . 0.0 111.706 178.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -56.85 -49.62 74.9 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 119.721 1.146 . . . . 0.0 110.886 175.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 7.2 mp -67.54 -38.95 84.92 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.144 0.977 . . . . 0.0 110.972 176.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 83.8 m -58.92 -41.86 88.29 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.848 0.749 . . . . 0.0 110.991 174.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 44.7 t -65.76 -48.98 70.01 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.014 1.325 . . . . 0.0 111.257 177.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 3.6 t80 -58.98 -37.69 77.41 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.271 0.628 . . . . 0.0 111.124 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 30.9 t60 -63.81 -58.48 6.7 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.893 1.277 . . . . 0.0 109.946 173.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -52.42 -32.56 39.75 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.051 1.74 . . . . 0.0 114.631 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -54.96 -45.97 74.97 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.942 1.697 . . . . 0.0 111.135 177.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 48.2 m80 -90.17 -27.85 19.29 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 127.007 2.123 . . . . 0.0 114.462 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 8.7 t -63.02 154.28 31.18 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.04 1.336 . . . . 0.0 113.803 -177.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -137.87 -4.87 1.74 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.765 2.026 . . . . 0.0 114.184 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -73.37 118.87 16.84 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.535 -1.353 . . . . 0.0 111.894 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -16.38 60.07 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -178.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -136.73 38.66 2.62 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 126.781 2.032 . . . . 0.0 112.681 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 14.0 t -52.08 136.92 38.08 Favored Pre-proline 0 CA--C 1.558 1.288 0 C-N-CA 125.866 1.666 . . . . 0.0 112.408 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -65.14 -24.08 59.57 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 123.477 2.785 . . . . 0.0 115.174 -177.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 70.3 t -64.39 116.02 24.74 Favored Pre-proline 0 N--CA 1.477 0.915 0 C-N-CA 124.733 1.213 . . . . 0.0 109.504 178.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -47.98 -51.61 9.64 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 124.298 3.332 . . . . 0.0 116.252 -176.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -78.4 -22.44 47.8 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 -176.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 42.7 t -44.1 -66.22 0.41 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.935 1.694 . . . . 0.0 112.803 -176.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 6.3 mp -49.44 -46.04 47.24 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.456 1.902 . . . . 0.0 113.543 177.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 15.0 m120 -61.83 -44.98 95.75 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.449 0.7 . . . . 0.0 110.852 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 9.5 mm -59.86 -46.26 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-O 118.716 -0.659 . . . . 0.0 110.3 175.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 57.2 mttt -52.4 -46.35 66.26 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 119.791 1.178 . . . . 0.0 111.325 177.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 55.2 t60 -58.33 -46.59 85.91 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.851 0.86 . . . . 0.0 111.545 177.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -59.37 -45.53 91.19 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.712 1.205 . . . . 0.0 111.271 175.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 6.1 mp -59.17 -32.54 70.0 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.266 1.426 . . . . 0.0 112.988 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -70.42 -19.9 62.96 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.728 1.149 . . . . 0.0 113.474 175.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -75.43 -7.73 54.84 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -66.08 -13.49 60.14 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.252 1.421 . . . . 0.0 114.402 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 15.2 pt20 . . . . . 0 N--CA 1.472 0.65 0 C-N-CA 126.073 1.749 . . . . 0.0 112.617 178.78 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 81.1 p . . . . . 0 CA--C 1.54 0.576 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -73.47 -11.32 60.42 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.626 1.57 . . . . 0.0 114.411 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 86.8 mmm -138.17 173.83 11.2 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.912 2.085 . . . . 0.0 111.889 -178.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -152.42 143.73 16.0 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 125.394 1.478 . . . . 0.0 111.741 178.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -77.46 -89.45 0.0 OUTLIER 'Trans proline' 0 CA--C 1.544 0.995 0 C-N-CA 123.889 3.059 . . . . 0.0 110.856 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -160.35 168.69 24.7 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.738 1.615 . . . . 0.0 112.53 177.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -159.44 121.7 1.9 Allowed Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 127.305 2.242 . . . . 0.0 107.784 177.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -63.05 -18.32 64.59 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 122.535 2.157 . . . . 0.0 114.346 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -86.33 -12.16 50.15 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.273 1.429 . . . . 0.0 113.422 178.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -27.47 67.56 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -175.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -64.89 -41.15 95.87 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.977 0.911 . . . . 0.0 110.878 177.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.27 -38.59 75.11 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.34 1.056 . . . . 0.0 111.578 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 92.7 t -64.66 -44.38 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.806 0.842 . . . . 0.0 110.269 176.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 72.8 m -53.25 -43.9 67.72 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.646 1.578 . . . . 0.0 115.174 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -67.24 -19.14 65.48 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 119.324 0.965 . . . . 0.0 113.484 178.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 17.7 mt -90.13 -50.81 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 C-N-CA 126.223 1.809 . . . . 0.0 109.241 177.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -156.67 102.57 1.98 Allowed Pre-proline 0 CA--C 1.559 1.295 0 C-N-CA 128.309 2.644 . . . . 0.0 111.529 176.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -82.18 -18.5 7.33 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 124.132 3.221 . . . . 0.0 115.684 -176.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -142.37 -178.98 6.01 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.144 1.778 . . . . 0.0 110.095 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 16.4 m -58.36 -13.03 4.4 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.193 1.397 . . . . 0.0 114.637 178.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.4 m -63.22 145.14 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 126.216 1.806 . . . . 0.0 111.836 177.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 21.5 mmt -81.78 55.22 2.65 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.028 0.931 . . . . 0.0 111.529 178.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 44.6 tp -54.31 -29.54 47.97 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 120.92 -1.112 . . . . 0.0 112.837 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.06 -22.09 36.53 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.638 0.775 . . . . 0.0 112.994 174.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.24 -19.68 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 O-C-N 120.692 -1.255 . . . . 0.0 112.836 176.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -122.38 -25.74 4.75 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.913 1.685 . . . . 0.0 113.839 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -74.45 167.61 21.36 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.37 1.468 . . . . 0.0 111.205 176.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -148.36 92.0 0.15 Allowed Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.208 0.909 . . . . 0.0 114.422 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 64.9 mt -54.97 125.77 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 124.658 1.183 . . . . 0.0 109.272 175.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -75.9 57.91 1.1 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.355 1.462 . . . . 0.0 113.352 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 61.1 tp -52.51 -24.93 8.96 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.936 1.695 . . . . 0.0 113.047 178.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 60.7 mt -52.94 -16.08 0.94 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.729 2.411 . . . . 0.0 113.545 176.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.2 t -60.84 -23.33 65.03 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.628 1.971 . . . . 0.0 112.998 174.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.68 159.82 82.25 Favored Pre-proline 0 CA--C 1.554 1.101 0 C-N-CA 125.964 1.706 . . . . 0.0 113.251 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -72.5 145.59 42.65 Favored 'Trans proline' 0 CA--C 1.55 1.318 0 C-N-CA 122.436 2.091 . . . . 0.0 111.33 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -54.53 167.38 1.42 Allowed 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 124.068 3.179 . . . . 0.0 117.493 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.69 152.51 89.83 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 127.307 2.243 . . . . 0.0 112.957 176.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.4 -18.98 38.42 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 123.185 2.59 . . . . 0.0 113.721 178.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -93.16 7.53 75.98 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 125.891 1.71 . . . . 0.0 114.957 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 65.4 m -57.2 117.46 18.23 Favored Pre-proline 0 N--CA 1.474 0.766 0 C-N-CA 125.28 1.432 . . . . 0.0 111.963 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -74.5 -19.54 19.06 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 122.97 2.447 . . . . 0.0 114.148 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 . . . . . 0 N--CA 1.476 0.862 0 C-N-CA 127.497 2.319 . . . . 0.0 113.939 179.748 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 CA--C 1.54 0.591 0 CA-C-O 119.044 -0.503 . . . . 0.0 112.088 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -67.07 -34.03 29.93 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.683 2.255 . . . . 0.0 111.706 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 15.9 tp60 -63.19 -39.14 93.79 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.302 -0.874 . . . . 0.0 110.678 176.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.95 -60.13 3.15 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.197 0.999 . . . . 0.0 110.816 177.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 94.5 p -55.3 -37.71 67.72 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -178.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 14.2 mmp_? -64.33 -54.7 29.01 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.746 0.819 . . . . 0.0 111.708 177.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -63.37 -33.47 75.6 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.167 0.894 . . . . 0.0 112.419 177.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 6.1 mp -68.41 -30.5 69.42 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 41.0 m -58.42 -46.76 85.83 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.494 1.043 . . . . 0.0 111.723 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 54.6 mt -58.54 -63.0 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 125.345 1.458 . . . . 0.0 110.743 178.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -59.45 -34.72 72.87 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -178.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -63.49 -53.33 53.72 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.799 0.84 . . . . 0.0 110.406 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 32.2 t -57.71 -33.55 68.52 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 118.827 0.74 . . . . 0.0 111.768 176.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 53.5 mt -65.68 -27.52 41.66 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 O-C-N 121.106 -0.996 . . . . 0.0 112.246 176.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -63.63 -46.32 86.22 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 120.569 1.532 . . . . 0.0 109.395 173.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 9.0 m -59.55 -39.08 82.82 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.756 1.623 . . . . 0.0 111.515 175.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 61.1 tp -59.79 -53.96 51.8 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.12 1.368 . . . . 0.0 110.023 175.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 98.4 t -55.61 -50.51 66.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.534 177.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 30.0 t60 -51.46 -60.41 3.17 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.608 0.763 . . . . 0.0 111.121 177.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.65 -27.48 62.87 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -178.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 89.1 m -78.12 -14.54 59.44 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 176.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -118.41 -13.92 9.76 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.156 1.382 . . . . 0.0 114.263 178.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 13.4 t -59.91 116.96 4.49 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.543 1.937 . . . . 0.0 111.918 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -71.75 -6.94 45.02 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.72 2.008 . . . . 0.0 116.18 -176.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 32.9 t30 -137.09 110.21 7.77 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.617 1.167 . . . . 0.0 112.18 -177.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -56.92 -17.4 9.43 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 178.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -87.98 -0.03 56.5 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 125.771 1.628 . . . . 0.0 114.013 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 44.0 t -46.23 111.2 0.34 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.99 2.116 . . . . 0.0 111.454 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 78.6 p -74.36 2.01 10.34 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 -175.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 14.4 tp -61.26 127.34 87.99 Favored Pre-proline 0 CA--C 1.545 0.77 0 C-N-CA 124.655 1.182 . . . . 0.0 109.4 177.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -56.01 -37.23 96.46 Favored 'Trans proline' 0 CA--C 1.536 0.591 0 C-N-CA 122.934 2.423 . . . . 0.0 113.746 -176.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 75.6 m -64.54 -48.98 73.07 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.365 1.066 . . . . 0.0 111.978 176.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 8.6 t -61.55 -51.99 66.31 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.734 1.614 . . . . 0.0 109.839 177.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -46.95 -58.37 4.02 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.229 1.812 . . . . 0.0 111.604 175.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -57.26 -52.08 66.78 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.908 0.883 . . . . 0.0 112.035 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 40.1 tpp -56.69 -38.74 72.69 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.823 0.849 . . . . 0.0 113.051 178.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -55.39 -34.0 63.96 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 117.897 -1.049 . . . . 0.0 113.076 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -59.75 -57.74 11.58 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 120.269 1.395 . . . . 0.0 111.312 176.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 28.9 m -64.13 -36.17 76.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 43.3 t -62.07 -50.62 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.186 0.994 . . . . 0.0 110.432 175.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -61.59 -30.11 70.47 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.8 1.24 . . . . 0.0 112.436 176.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 6.8 t60 -72.16 -64.31 0.97 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.412 1.085 . . . . 0.0 110.91 176.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 11.7 t -54.02 -34.96 61.33 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 114.53 1.308 . . . . 0.0 114.53 -176.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -69.25 -11.33 60.71 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -139.62 0.92 2.27 Favored Glycine 0 CA--C 1.538 1.509 0 N-CA-C 117.001 1.561 . . . . 0.0 117.001 -177.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 52.9 t -57.34 141.83 45.67 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.341 1.57 . . . . 0.0 113.156 -178.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -74.58 -9.69 58.82 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.09 1.756 . . . . 0.0 112.908 177.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 20.5 mtm180 -120.08 -59.58 1.78 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.248 1.819 . . . . 0.0 113.644 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 52.8 mtpt 56.72 -164.89 0.15 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.555 1.142 . . . . 0.0 110.781 -169.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 17.4 p -56.05 -46.1 79.03 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.726 -1.234 . . . . 0.0 112.642 178.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 11.4 p30 -62.08 -28.47 69.63 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -91.55 -7.71 64.72 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 125.196 1.379 . . . . 0.0 113.887 177.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 87.08 17.94 58.51 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.545 1.545 . . . . 0.0 115.881 177.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 24.5 t -61.93 117.44 29.09 Favored Pre-proline 0 CA--C 1.553 1.061 0 CA-C-N 118.829 1.315 . . . . 0.0 112.382 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -57.13 -39.79 88.09 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.3 2.666 . . . . 0.0 113.692 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 60.7 t -58.8 -63.09 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.282 1.033 . . . . 0.0 109.97 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 41.2 m -53.34 -52.89 57.72 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.773 1.629 . . . . 0.0 111.927 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.3 -50.16 65.49 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.98 0.912 . . . . 0.0 111.438 178.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -66.2 -30.32 70.76 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 178.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.95 -49.66 69.47 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 118.778 0.717 . . . . 0.0 109.078 172.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 31.2 mm -60.96 -31.99 51.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.654 1.182 . . . . 0.0 111.779 177.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -56.53 -45.64 81.02 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 120.362 1.437 . . . . 0.0 111.577 175.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 7.2 mp -69.47 -37.74 77.43 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.892 0.877 . . . . 0.0 110.962 175.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 84.6 m -60.3 -38.05 82.45 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 118.852 0.751 . . . . 0.0 110.697 173.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 95.9 m -67.07 -48.52 68.01 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.395 1.078 . . . . 0.0 111.27 176.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 29.1 t80 -58.06 -40.31 80.68 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.375 0.534 . . . . 0.0 110.839 176.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 46.6 t60 -61.67 -59.69 4.8 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.122 0.969 . . . . 0.0 110.053 174.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -53.18 -31.53 43.28 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.087 1.755 . . . . 0.0 114.672 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -57.25 -47.35 81.59 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.802 1.641 . . . . 0.0 111.103 177.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 44.5 m80 -90.15 -27.91 19.28 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.488 1.915 . . . . 0.0 114.611 -178.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 17.9 t -63.82 149.83 46.08 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.881 1.272 . . . . 0.0 113.86 -177.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -138.86 1.07 2.04 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 127.363 2.265 . . . . 0.0 113.236 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.29 106.03 4.94 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.288 1.435 . . . . 0.0 110.063 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.24 -25.05 12.8 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.332 1.453 . . . . 0.0 114.594 -177.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 97.4 mttt -130.0 33.52 4.38 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.553 1.941 . . . . 0.0 112.727 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 12.1 t -43.57 134.44 3.6 Favored Pre-proline 0 CA--C 1.556 1.175 0 C-N-CA 126.999 2.119 . . . . 0.0 113.407 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -64.34 -23.8 65.24 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 123.227 2.618 . . . . 0.0 114.735 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 96.9 t -66.4 123.3 85.15 Favored Pre-proline 0 N--CA 1.476 0.837 0 C-N-CA 124.18 0.992 . . . . 0.0 108.991 177.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -64.09 -44.85 11.4 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.919 2.413 . . . . 0.0 114.666 -174.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -75.46 -30.34 59.93 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.093 1.145 . . . . 0.0 114.093 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 41.0 t -41.36 -67.5 0.25 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.567 1.947 . . . . 0.0 113.046 -177.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 51.0 mt -55.36 -36.7 66.6 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.475 1.11 . . . . 0.0 113.751 -179.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -64.02 -48.89 74.56 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.64 0.655 . . . . 0.0 109.715 175.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 14.0 mm -58.64 -47.75 87.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 119.005 -0.521 . . . . 0.0 110.6 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -52.14 -45.66 65.07 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 119.419 1.008 . . . . 0.0 111.649 177.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 54.4 t60 -62.36 -50.65 70.74 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.903 0.881 . . . . 0.0 111.17 176.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -54.77 -40.11 69.06 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.424 1.49 . . . . 0.0 111.925 176.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 3.0 mp -60.23 -41.37 92.98 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.611 1.565 . . . . 0.0 112.618 177.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -78.54 -27.37 45.92 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 118.883 0.765 . . . . 0.0 112.226 176.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -63.11 -19.59 64.58 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.761 1.225 . . . . 0.0 112.464 178.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -64.17 -20.22 65.86 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.287 1.435 . . . . 0.0 112.754 175.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 19.8 pt20 . . . . . 0 C--O 1.239 0.509 0 C-N-CA 126.587 1.955 . . . . 0.0 111.568 -179.525 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 81.3 p . . . . . 0 N--CA 1.472 0.656 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -66.73 -17.18 64.73 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.545 1.538 . . . . 0.0 114.372 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 28.1 ptm -147.16 168.2 22.23 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.164 1.786 . . . . 0.0 112.139 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.91 163.32 65.98 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 124.458 1.103 . . . . 0.0 113.148 178.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -77.24 -179.55 5.54 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 124.975 3.783 . . . . 0.0 106.621 169.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -119.13 165.32 14.32 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.321 1.048 . . . . 0.0 111.006 175.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -153.36 136.86 10.18 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 124.649 1.18 . . . . 0.0 110.687 -178.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -68.31 -14.7 40.94 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 122.416 2.078 . . . . 0.0 115.132 -177.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -95.56 -12.98 24.83 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.656 1.182 . . . . 0.0 113.865 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -57.94 -37.15 73.6 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.438 1.017 . . . . 0.0 113.651 -174.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -58.76 -40.27 83.4 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.17 1.788 . . . . 0.0 112.034 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.38 -20.69 60.69 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 177.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 12.5 t -82.5 -48.86 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.316 1.046 . . . . 0.0 110.657 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 71.2 m -51.32 -36.69 43.83 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 -177.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -67.79 -24.39 65.31 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 8.2 mt -90.11 -54.31 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 126.629 1.971 . . . . 0.0 109.725 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -152.43 100.89 2.77 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 126.953 2.101 . . . . 0.0 111.57 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.11 172.87 15.52 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 122.537 2.158 . . . . 0.0 111.392 177.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -69.46 -21.46 63.72 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.774 -1.204 . . . . 0.0 114.12 -178.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 19.9 m -78.45 -43.91 25.99 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.388 1.475 . . . . 0.0 114.684 -177.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 32.9 m -143.58 157.03 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 124.999 1.32 . . . . 0.0 112.713 -177.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 34.3 mtp -82.72 65.5 7.88 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.875 0.87 . . . . 0.0 111.24 175.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 37.3 tp -52.0 -25.82 9.3 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.189 1.796 . . . . 0.0 113.696 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.83 -13.64 6.76 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.235 1.414 . . . . 0.0 114.339 175.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 3.9 p -73.57 -17.31 17.49 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 124.097 0.959 . . . . 0.0 111.73 173.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -130.69 -30.84 1.82 Allowed 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 -177.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.69 167.56 21.56 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 120.661 1.573 . . . . 0.0 112.871 178.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.4 108.07 0.98 Allowed Glycine 0 CA--C 1.533 1.203 0 C-N-CA 125.438 1.494 . . . . 0.0 113.821 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 20.1 mt -60.14 128.3 20.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.824 1.25 . . . . 0.0 110.681 177.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -72.51 42.68 0.1 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 127.834 2.454 . . . . 0.0 114.427 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 43.2 tp -50.15 -25.36 3.47 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.133 1.773 . . . . 0.0 113.745 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 38.8 mt -51.78 -23.54 4.79 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 128.12 2.568 . . . . 0.0 113.47 175.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.0 t -67.17 -14.49 62.96 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.404 1.882 . . . . 0.0 114.877 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.43 160.85 38.8 Favored Pre-proline 0 CA--C 1.553 1.09 0 C-N-CA 125.127 1.371 . . . . 0.0 112.692 179.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -67.21 150.52 81.74 Favored 'Trans proline' 0 CA--C 1.546 1.112 0 C-N-CA 122.399 2.066 . . . . 0.0 111.856 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -69.04 -27.1 30.32 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.027 2.485 . . . . 0.0 113.58 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -154.61 150.19 21.38 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 126.69 1.996 . . . . 0.0 109.656 176.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.87 -20.0 52.05 Favored 'Trans proline' 0 CA--C 1.542 0.877 0 C-N-CA 122.984 2.456 . . . . 0.0 113.7 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.36 7.62 54.29 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 126.013 1.768 . . . . 0.0 114.375 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 46.9 t -65.3 134.3 95.71 Favored Pre-proline 0 N--CA 1.471 0.615 0 CA-C-N 118.812 1.306 . . . . 0.0 111.758 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -75.31 -11.74 20.93 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 122.718 2.279 . . . . 0.0 113.35 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 N--CA 1.476 0.871 0 C-N-CA 127.776 2.431 . . . . 0.0 114.055 -179.173 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 70.5 m . . . . . 0 CA--C 1.542 0.64 0 CA-C-O 119.323 -0.37 . . . . 0.0 111.792 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -61.7 -24.98 78.36 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 122.668 2.245 . . . . 0.0 113.011 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 12.8 mp0 -60.04 -43.71 95.16 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.366 1.067 . . . . 0.0 110.749 176.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.69 -49.49 76.27 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.071 0.948 . . . . 0.0 110.034 176.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 46.4 m -55.22 -49.11 72.8 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.195 0.998 . . . . 0.0 112.153 177.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 56.5 mtm180 -62.18 -48.32 80.59 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.771 0.828 . . . . 0.0 111.546 177.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -59.92 -29.22 68.23 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.983 1.313 . . . . 0.0 112.184 176.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 3.3 mp -72.97 -52.46 14.44 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.298 -0.876 . . . . 0.0 109.954 175.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 73.7 m -53.93 -50.33 66.66 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.237 -0.914 . . . . 0.0 112.545 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 17.4 tt -60.57 -48.64 87.71 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 123.513 0.725 . . . . 0.0 112.254 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -65.88 -34.87 79.14 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.599 1.09 . . . . 0.0 113.194 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -60.01 -52.69 64.31 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.658 1.183 . . . . 0.0 110.161 176.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 27.1 t -59.55 -35.59 74.53 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 122.593 0.357 . . . . 0.0 111.819 175.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 40.9 mt -63.54 -29.43 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 121.184 -0.948 . . . . 0.0 111.9 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -62.4 -45.15 94.42 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 120.359 1.436 . . . . 0.0 109.869 174.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 9.8 m -61.88 -41.26 97.66 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.0 1.32 . . . . 0.0 111.235 176.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 69.4 tp -57.27 -53.03 62.76 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.045 1.338 . . . . 0.0 110.747 175.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 95.3 t -57.02 -52.22 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.459 0.703 . . . . 0.0 110.413 177.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 41.3 t60 -52.92 -56.66 14.28 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.852 0.861 . . . . 0.0 111.459 178.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -56.82 -30.06 63.38 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 85.3 m -75.33 -13.4 60.41 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 176.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -118.46 -18.84 9.05 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.047 1.339 . . . . 0.0 114.282 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 10.9 t -63.78 116.92 6.21 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.828 1.651 . . . . 0.0 111.87 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -72.06 -18.76 61.91 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.565 1.946 . . . . 0.0 115.405 -176.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 29.2 t30 -127.38 112.46 15.04 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.761 1.224 . . . . 0.0 112.988 -175.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -58.67 -15.93 14.01 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 177.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -90.68 7.28 40.23 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 126.144 1.778 . . . . 0.0 113.508 178.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 41.8 t -45.77 133.1 8.49 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.369 2.268 . . . . 0.0 111.859 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 79.6 p -68.7 -5.5 20.71 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 116.507 2.04 . . . . 0.0 116.507 -175.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 29.4 tp -76.75 118.7 73.51 Favored Pre-proline 0 CA--C 1.551 1.008 0 CA-C-N 120.214 1.37 . . . . 0.0 111.12 179.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -49.96 -40.98 49.24 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.475 2.783 . . . . 0.0 115.066 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 88.3 p -73.59 -33.49 64.64 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 49.5 t -61.37 -51.82 67.18 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.214 1.405 . . . . 0.0 109.427 175.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -48.49 -51.12 28.75 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.68 1.592 . . . . 0.0 111.874 176.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 94.1 mttt -62.0 -53.81 50.34 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.587 1.155 . . . . 0.0 111.233 177.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 52.3 tpp -60.31 -28.57 68.23 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.931 1.293 . . . . 0.0 114.391 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -56.34 -44.16 79.77 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 120.545 -1.347 . . . . 0.0 111.281 175.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -62.04 -39.89 93.89 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.977 0.911 . . . . 0.0 111.554 176.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1802 ' ' VAL . . . . . 0.467 HG12 HD22 ' A' 1823 ' ' LEU . 58.1 t -60.78 -58.3 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 126.16 1.784 . . . . 0.0 111.426 178.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 7.7 p -61.56 -36.93 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 118.914 0.779 . . . . 0.0 112.069 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -65.89 -23.41 66.64 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.505 1.122 . . . . 0.0 113.302 175.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 19.2 t60 -70.87 -66.3 0.63 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.423 1.011 . . . . 0.0 110.461 177.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 10.9 t -52.92 -37.85 61.26 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 -176.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -68.61 -11.34 59.92 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -136.37 7.71 4.01 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.515 1.531 . . . . 0.0 115.812 -178.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 49.7 t -59.03 142.57 50.92 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.991 1.395 . . . . 0.0 112.516 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -71.35 -16.99 62.45 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.605 1.562 . . . . 0.0 113.608 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.47 -23.8 0.59 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 12.0 tttp 53.26 -165.39 0.08 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.161 1.784 . . . . 0.0 113.488 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 17.9 p -59.22 -28.8 67.0 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.998 1.319 . . . . 0.0 112.295 174.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 33.4 t30 -57.97 -46.35 85.28 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.335 1.454 . . . . 0.0 111.727 176.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -86.74 -8.97 75.65 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.544 1.069 . . . . 0.0 113.887 176.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 98.62 21.19 17.25 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.431 1.491 . . . . 0.0 116.315 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 12.8 t -55.3 115.06 8.28 Favored Pre-proline 0 CA--C 1.556 1.177 0 CA-C-N 119.357 1.578 . . . . 0.0 111.869 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -54.88 -48.85 19.0 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.694 2.929 . . . . 0.0 114.241 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -60.2 -49.26 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.656 1.182 . . . . 0.0 111.507 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 85.4 m -55.57 -48.62 74.48 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.297 0.953 . . . . 0.0 110.084 175.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1821 ' ' LYS . . . . . 0.405 ' HE2' ' O ' ' A' 1821 ' ' LYS . 0.1 OUTLIER -56.21 -47.36 78.55 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.36 -0.837 . . . . 0.0 111.064 177.046 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -60.02 -43.33 95.32 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.574 -0.703 . . . . 0.0 111.973 177.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1823 ' ' LEU . . . . . 0.467 HD22 HG12 ' A' 1802 ' ' VAL . 25.6 tp -64.56 -47.78 77.46 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.144 -0.973 . . . . 0.0 111.439 177.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 34.4 mm -61.4 -32.37 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 123.9 0.88 . . . . 0.0 111.21 176.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -57.9 -46.68 84.56 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.822 1.192 . . . . 0.0 111.175 174.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 8.0 mp -67.26 -40.69 86.25 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.954 0.901 . . . . 0.0 111.29 176.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 77.7 m -58.8 -42.58 89.41 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 118.597 0.635 . . . . 0.0 110.497 175.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 45.2 t -65.01 -50.98 64.15 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.116 1.366 . . . . 0.0 111.2 176.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 11.7 t80 -57.29 -38.4 73.9 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.715 0.806 . . . . 0.0 111.551 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 54.7 t60 -64.44 -59.67 4.06 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.179 0.992 . . . . 0.0 109.888 173.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -52.83 -32.75 46.01 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.873 1.669 . . . . 0.0 114.838 -178.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -56.37 -45.53 80.45 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.779 1.632 . . . . 0.0 111.244 177.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 43.4 m80 -90.01 -27.76 19.54 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.239 1.816 . . . . 0.0 113.743 -179.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1834 ' ' CYS . . . . . . . . . . . . . 11.5 t -67.29 164.96 17.26 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.094 1.358 . . . . 0.0 113.15 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -154.77 -3.42 0.16 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.637 1.975 . . . . 0.0 114.674 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -69.34 116.19 9.48 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 120.807 -1.183 . . . . 0.0 110.848 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -16.83 57.85 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -177.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -129.86 29.42 4.99 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.626 1.97 . . . . 0.0 113.459 -178.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 8.9 t -49.01 134.49 14.82 Favored Pre-proline 0 CA--C 1.556 1.187 0 C-N-CA 126.293 1.837 . . . . 0.0 111.57 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -64.37 -23.2 65.56 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 123.354 2.703 . . . . 0.0 115.097 -176.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 89.1 t -69.4 118.42 62.09 Favored Pre-proline 0 N--CA 1.474 0.756 0 C-N-CA 124.361 1.064 . . . . 0.0 108.528 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -64.52 -38.11 34.62 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.511 2.141 . . . . 0.0 113.801 -176.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -74.43 -29.23 61.4 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 118.286 -0.864 . . . . 0.0 113.302 179.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 37.6 t -49.76 -66.32 0.41 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.19 1.396 . . . . 0.0 111.187 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 69.4 mt -51.64 -41.3 61.21 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.728 1.611 . . . . 0.0 113.5 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -61.5 -50.56 72.22 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.601 0.761 . . . . 0.0 110.114 176.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 7.9 mm -59.73 -46.98 92.91 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 CA-C-O 118.663 -0.684 . . . . 0.0 110.595 175.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1848 ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -52.78 -46.56 67.64 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 119.825 1.193 . . . . 0.0 111.135 177.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 56.1 t60 -58.92 -49.13 78.98 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.175 0.99 . . . . 0.0 111.358 176.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 14.4 mptt -56.83 -44.39 82.03 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.753 1.221 . . . . 0.0 111.563 175.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 5.0 mp -57.51 -34.4 69.06 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.136 1.374 . . . . 0.0 112.721 177.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 59.1 mmt-85 -73.56 -14.96 61.29 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 113.807 1.039 . . . . 0.0 113.807 176.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 -82.51 -7.54 59.64 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -64.69 162.29 16.12 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.809 1.244 . . . . 0.0 112.987 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 23.8 mm100 . . . . . 0 N--CA 1.471 0.614 0 C-N-CA 124.891 1.277 . . . . 0.0 112.229 178.867 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 35.5 m . . . . . 0 CA--C 1.541 0.609 0 N-CA-C 113.979 1.104 . . . . 0.0 113.979 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -145.19 172.14 13.54 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.397 1.879 . . . . 0.0 112.373 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 25.7 ptp -68.75 168.21 13.78 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.811 1.244 . . . . 0.0 112.816 177.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.79 152.14 87.36 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 124.04 0.936 . . . . 0.0 113.109 178.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -80.53 -120.06 0.01 OUTLIER 'Trans proline' 0 CA--C 1.551 1.346 0 C-N-CA 124.053 3.169 . . . . 0.0 109.295 176.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -153.11 169.45 22.92 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.46 1.504 . . . . 0.0 111.419 176.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -155.41 151.76 23.19 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 125.99 1.716 . . . . 0.0 110.424 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -74.13 -9.03 21.7 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.402 2.068 . . . . 0.0 114.587 -177.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -87.57 -30.2 20.71 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.363 -0.836 . . . . 0.0 113.22 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -60.26 -27.49 67.29 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.328 1.051 . . . . 0.0 112.416 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -59.57 -38.68 81.79 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.105 1.762 . . . . 0.0 111.207 175.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.64 -43.9 21.95 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.344 1.058 . . . . 0.0 110.738 175.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 46.3 t -58.32 -36.75 59.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 O-C-N 121.486 -0.759 . . . . 0.0 111.353 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 66.7 m -59.42 -24.54 63.57 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 115.773 1.768 . . . . 0.0 115.773 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -90.03 -22.37 21.9 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.95 1.25 . . . . 0.0 112.515 175.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 10.7 mt -90.32 -54.03 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 126.073 1.749 . . . . 0.0 112.383 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -143.83 75.43 16.05 Favored Pre-proline 0 CA--C 1.556 1.19 0 C-N-CA 127.221 2.208 . . . . 0.0 111.312 -178.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -65.15 171.17 9.4 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 122.17 1.913 . . . . 0.0 113.107 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -63.66 -19.9 65.27 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 120.982 -1.074 . . . . 0.0 113.796 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 22.1 p -78.66 -52.76 7.96 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.19 1.796 . . . . 0.0 113.378 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 35.4 m -144.38 160.28 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 125.631 1.572 . . . . 0.0 113.874 -176.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 83.7 mtp -87.5 66.53 9.06 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.056 0.942 . . . . 0.0 108.877 172.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 12.0 tp -48.31 -27.67 2.66 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.219 1.808 . . . . 0.0 115.63 -173.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.3 -21.14 13.47 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 176.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 6.3 p -68.2 -17.56 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 O-C-N 121.015 -1.053 . . . . 0.0 112.272 175.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -133.15 -1.24 3.26 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.399 1.88 . . . . 0.0 115.206 -178.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -134.74 146.41 49.39 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.68 1.592 . . . . 0.0 111.982 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -99.85 145.49 17.43 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.949 1.261 . . . . 0.0 113.645 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 38.7 mt -80.55 152.45 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.415 1.486 . . . . 0.0 111.847 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 47.1 p-10 -69.11 27.18 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 128.552 2.741 . . . . 0.0 116.015 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 27.5 tp -53.47 -23.62 10.69 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.694 1.998 . . . . 0.0 113.151 178.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.417 ' HG ' ' H ' ' B' ' 81' ' ' LEU . 34.9 mt -45.0 -27.11 0.5 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 129.244 3.018 . . . . 0.0 113.995 177.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.4 t -68.26 -13.37 62.2 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.211 1.804 . . . . 0.0 114.945 178.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.0 162.67 28.55 Favored Pre-proline 0 CA--C 1.555 1.145 0 C-N-CA 124.436 1.094 . . . . 0.0 113.917 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -56.95 152.92 40.64 Favored 'Trans proline' 0 CA--C 1.547 1.166 0 C-N-CA 123.662 2.908 . . . . 0.0 114.46 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -72.48 170.97 18.06 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 123.551 2.834 . . . . 0.0 112.616 178.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.05 150.41 88.53 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 124.14 0.976 . . . . 0.0 112.434 178.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -73.43 -14.59 25.14 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 123.456 2.771 . . . . 0.0 114.5 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 179.98 -179.25 48.81 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 125.204 1.383 . . . . 0.0 113.203 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 38.0 m -68.86 152.35 96.81 Favored Pre-proline 0 N--CA 1.472 0.633 0 C-N-CA 125.089 1.356 . . . . 0.0 111.55 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -74.4 -11.48 22.67 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 122.815 2.343 . . . . 0.0 114.535 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 . . . . . 0 N--CA 1.47 0.56 0 C-N-CA 125.816 1.647 . . . . 0.0 112.09 -179.752 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 68.8 m . . . . . 0 CA--C 1.543 0.698 0 CA-C-O 119.318 -0.372 . . . . 0.0 111.736 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -48.23 -45.54 25.63 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 124.326 3.35 . . . . 0.0 114.512 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -54.2 -50.23 67.56 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.566 1.146 . . . . 0.0 111.498 177.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -61.5 -51.07 70.15 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.833 0.853 . . . . 0.0 111.044 177.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 66.6 m -53.94 -44.53 70.75 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.789 0.836 . . . . 0.0 112.309 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -62.88 -52.72 62.0 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.364 1.466 . . . . 0.0 111.174 176.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -58.94 -31.72 68.94 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.841 1.657 . . . . 0.0 112.312 178.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 6.2 mp -73.46 -52.74 12.6 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.191 0.996 . . . . 0.0 109.695 174.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 37.8 m -52.17 -51.12 59.95 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.711 0.804 . . . . 0.0 112.692 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 16.7 tt -61.14 -50.43 80.54 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 124.098 0.959 . . . . 0.0 112.393 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -64.3 -39.28 93.61 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.608 1.094 . . . . 0.0 112.639 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 15.3 mmp_? -60.09 -54.06 50.36 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.415 1.086 . . . . 0.0 110.026 176.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 33.6 t -55.53 -38.83 69.77 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.134 0.574 . . . . 0.0 111.774 176.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 40.7 mt -64.83 -28.81 45.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 O-C-N 121.161 -0.962 . . . . 0.0 112.662 176.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -63.39 -46.37 86.75 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 120.651 1.568 . . . . 0.0 109.853 173.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 51.1 m -60.21 -38.76 84.32 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.983 1.313 . . . . 0.0 111.78 176.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 64.1 tp -60.5 -50.87 71.82 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.892 1.277 . . . . 0.0 110.556 176.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 95.2 t -56.37 -48.14 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.589 177.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 27.2 t60 -52.05 -58.21 7.22 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.01 0.823 . . . . 0.0 110.884 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.33 -28.46 63.12 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 97.1 m -78.12 -14.19 59.57 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 177.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -120.01 -14.1 8.93 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 9.2 t -59.28 121.64 11.89 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.693 1.597 . . . . 0.0 111.992 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -76.2 -13.8 60.17 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.777 2.031 . . . . 0.0 115.388 -175.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 30.3 t30 -131.55 111.6 11.89 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.819 1.247 . . . . 0.0 112.712 -176.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -57.63 -17.23 13.47 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 177.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -89.25 4.47 48.61 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.041 1.737 . . . . 0.0 113.8 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 49.5 t -46.35 123.85 5.19 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.961 2.104 . . . . 0.0 111.864 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 78.8 p -77.57 -1.53 31.16 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -176.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 16.2 tp -65.59 131.21 94.76 Favored Pre-proline 0 CA--C 1.548 0.894 0 CA-C-N 119.994 1.27 . . . . 0.0 110.505 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -54.92 -43.11 62.52 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 122.607 2.205 . . . . 0.0 113.095 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 68.6 m -62.47 -49.34 75.81 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.315 1.446 . . . . 0.0 112.748 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 12.9 t -56.5 -51.54 68.12 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.054 1.342 . . . . 0.0 110.118 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -55.11 -47.72 74.6 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.668 1.187 . . . . 0.0 112.742 177.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -57.38 -52.38 65.61 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 118.957 0.799 . . . . 0.0 111.178 176.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -44.17 77.65 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.938 0.895 . . . . 0.0 112.735 177.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -50.34 -36.8 33.73 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.963 0.801 . . . . 0.0 113.119 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -60.71 -57.82 11.1 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.652 1.114 . . . . 0.0 111.635 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 24.6 m -65.29 -34.39 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 118.529 0.604 . . . . 0.0 112.572 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 30.0 t -62.08 -50.19 81.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.808 1.243 . . . . 0.0 110.157 175.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -62.77 -28.64 70.12 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.788 0.835 . . . . 0.0 112.061 176.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 10.0 t60 -69.1 -65.72 0.67 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.678 0.791 . . . . 0.0 110.419 175.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 13.6 t -53.63 -35.08 60.56 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -175.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -73.53 -14.76 61.27 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 178.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -125.1 -9.68 5.03 Favored Glycine 0 CA--C 1.537 1.457 0 N-CA-C 116.479 1.351 . . . . 0.0 116.479 -177.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 47.6 t -58.59 144.24 43.56 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.218 1.407 . . . . 0.0 112.499 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 98.5 mttt -102.31 -4.5 25.52 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.508 1.923 . . . . 0.0 112.878 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -103.7 -58.73 1.83 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.446 1.898 . . . . 0.0 110.319 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 45.5 mtpt 54.54 177.37 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 128.522 2.729 . . . . 0.0 114.911 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 75.4 p -57.99 -37.41 74.19 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 120.667 -1.271 . . . . 0.0 113.453 -178.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -64.58 -24.29 67.55 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.226 1.011 . . . . 0.0 113.162 177.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -96.57 -21.31 22.13 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.916 1.246 . . . . 0.0 113.227 176.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 114.67 13.22 9.67 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 125.736 1.636 . . . . 0.0 115.798 179.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 20.7 t -60.38 120.89 55.87 Favored Pre-proline 0 CA--C 1.551 1.011 0 CA-C-N 119.254 1.527 . . . . 0.0 112.14 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -67.34 -39.95 11.87 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 123.041 2.494 . . . . 0.0 113.708 -178.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 61.5 t -58.0 -56.76 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.531 1.059 . . . . 0.0 110.725 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 56.2 m -53.52 -45.12 69.64 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.792 1.237 . . . . 0.0 110.53 177.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1821 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -41.85 78.22 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 118.466 -0.778 . . . . 0.0 112.473 177.158 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -61.4 -41.38 97.04 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.338 0.972 . . . . 0.0 111.372 178.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 6.1 mt -65.88 -53.33 41.01 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 122.927 0.491 . . . . 0.0 111.408 175.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 27.0 mm -58.05 -37.74 63.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 123.382 0.673 . . . . 0.0 112.26 -179.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -55.4 -49.6 71.95 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.59 1.087 . . . . 0.0 111.73 176.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 5.2 mp -68.16 -37.22 80.77 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.921 0.888 . . . . 0.0 111.579 177.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 76.2 m -60.5 -40.11 90.16 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.039 0.836 . . . . 0.0 110.656 174.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 84.7 m -64.89 -49.26 71.14 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.028 0.931 . . . . 0.0 111.333 176.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 38.5 t80 -60.12 -38.37 82.84 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.944 -0.473 . . . . 0.0 111.701 177.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 41.1 t60 -62.45 -58.41 7.73 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.107 0.963 . . . . 0.0 109.94 174.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -53.63 -30.47 43.0 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.69 1.596 . . . . 0.0 114.76 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -57.48 -47.23 82.43 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.468 1.507 . . . . 0.0 110.995 177.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 46.6 m80 -90.04 -27.45 19.71 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.603 1.961 . . . . 0.0 114.666 -178.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1834 ' ' CYS . . . . . 0.466 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 9.4 t -64.52 150.5 46.59 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.792 1.237 . . . . 0.0 113.567 -177.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -137.47 -3.78 1.89 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.372 1.869 . . . . 0.0 114.208 -178.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -75.72 113.39 13.13 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.738 -1.226 . . . . 0.0 111.613 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 36.1 t30 -60.35 -15.22 23.67 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -178.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -130.59 30.64 4.66 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 127.016 2.126 . . . . 0.0 113.279 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 33.3 t -48.82 134.68 14.12 Favored Pre-proline 0 CA--C 1.559 1.306 0 C-N-CA 126.172 1.789 . . . . 0.0 112.976 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -66.14 -21.9 54.97 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 123.587 2.858 . . . . 0.0 115.522 -177.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 75.9 t -65.16 116.61 31.87 Favored Pre-proline 0 N--CA 1.477 0.878 0 C-N-CA 124.553 1.141 . . . . 0.0 109.698 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -49.32 -50.46 12.89 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 124.114 3.209 . . . . 0.0 116.193 -176.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -78.55 -27.16 45.84 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -176.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 52.0 t -42.67 -67.65 0.25 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.456 1.902 . . . . 0.0 113.051 -177.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 63.3 mt -53.33 -35.75 60.53 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.481 1.512 . . . . 0.0 113.946 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -66.09 -48.96 69.21 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.514 0.597 . . . . 0.0 110.061 175.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 11.9 mm -58.17 -46.36 88.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 123.134 0.574 . . . . 0.0 110.669 176.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1848 ' ' LYS . . . . . 0.466 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 68.1 mttt -51.45 -44.54 62.41 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.347 0.976 . . . . 0.0 112.082 177.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 60.8 t60 -63.59 -51.98 62.98 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.434 0.694 . . . . 0.0 110.724 176.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 10.4 mptt -51.57 -41.22 61.0 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.181 1.393 . . . . 0.0 111.707 176.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 3.0 mp -60.18 -22.21 62.65 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.368 1.867 . . . . 0.0 115.145 177.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -104.29 -28.53 11.35 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.915 1.286 . . . . 0.0 111.579 175.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -72.12 -30.02 64.65 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.679 1.591 . . . . 0.0 112.522 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -63.07 167.41 4.93 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.414 1.486 . . . . 0.0 113.424 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 . . . . . 0 N--CA 1.472 0.674 0 C-N-CA 124.794 1.238 . . . . 0.0 112.084 178.033 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 78.1 p . . . . . 0 N--CA 1.47 0.563 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -128.6 45.09 2.84 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.871 2.068 . . . . 0.0 111.288 -178.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -54.66 127.92 30.23 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.215 1.806 . . . . 0.0 112.577 -178.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.7 150.13 96.57 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 124.245 1.018 . . . . 0.0 113.083 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -80.15 -120.03 0.01 OUTLIER 'Trans proline' 0 CA--C 1.551 1.365 0 C-N-CA 124.247 3.298 . . . . 0.0 108.991 175.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -151.54 169.13 22.83 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.432 1.493 . . . . 0.0 111.42 176.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -152.57 135.56 9.4 Favored Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 125.873 1.669 . . . . 0.0 109.833 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -65.7 -15.24 48.44 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 122.756 2.304 . . . . 0.0 115.342 -177.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -96.95 -12.96 22.72 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.784 1.234 . . . . 0.0 113.603 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.09 -31.56 67.23 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -172.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -65.42 -42.8 92.12 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.606 1.162 . . . . 0.0 110.931 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.55 -25.12 65.65 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.344 1.058 . . . . 0.0 113.188 177.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 22.3 t -82.29 -47.4 19.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.399 1.08 . . . . 0.0 110.173 175.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 53.2 m -53.27 -37.82 62.5 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.687 1.595 . . . . 0.0 114.321 -176.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -67.6 -24.53 65.5 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 16.8 mt -90.04 -55.7 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 127.165 2.186 . . . . 0.0 110.443 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -150.36 98.78 3.25 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 127.603 2.361 . . . . 0.0 111.64 177.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -76.92 172.28 16.47 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 122.915 2.41 . . . . 0.0 111.498 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -71.52 -20.26 62.07 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 120.952 -1.093 . . . . 0.0 113.527 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 18.8 t -74.43 -47.8 31.5 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.385 1.474 . . . . 0.0 114.489 -178.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.5 m -140.24 158.59 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 124.677 1.191 . . . . 0.0 114.02 -176.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 58.8 tpp -78.4 62.51 3.05 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.394 1.478 . . . . 0.0 110.851 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 41.7 tp -56.64 -25.21 52.75 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 120.785 -1.197 . . . . 0.0 112.635 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.52 -21.2 24.54 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.972 1.309 . . . . 0.0 113.898 175.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 2.7 p -73.69 -16.38 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 119.286 0.948 . . . . 0.0 112.846 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -123.6 -19.58 5.78 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.304 1.442 . . . . 0.0 113.872 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -71.16 155.94 40.16 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.839 1.256 . . . . 0.0 111.997 177.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -142.01 90.51 0.18 Allowed Glycine 0 CA--C 1.529 0.92 0 C-N-CA 126.525 2.012 . . . . 0.0 109.879 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.33 133.09 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.422 1.489 . . . . 0.0 112.846 -176.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -59.14 8.46 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 130.12 3.368 . . . . 0.0 117.663 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 59.7 tp -55.7 -21.31 17.85 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.506 1.522 . . . . 0.0 114.382 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.11 -36.1 50.04 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.487 1.915 . . . . 0.0 114.435 -177.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.7 t -84.97 -7.57 59.1 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 -176.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -78.91 147.95 71.24 Favored Pre-proline 0 CA--C 1.546 0.81 0 O-C-N 121.185 -0.947 . . . . 0.0 113.363 -177.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -74.83 162.18 37.9 Favored 'Trans proline' 0 CA--C 1.549 1.231 0 C-N-CA 123.52 2.813 . . . . 0.0 112.469 177.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -57.11 -29.8 84.59 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.936 3.091 . . . . 0.0 114.899 178.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -142.95 154.89 62.52 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 126.887 2.075 . . . . 0.0 110.87 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -65.19 115.85 3.54 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 123.31 2.673 . . . . 0.0 111.655 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -77.43 2.93 60.78 Favored Glycine 0 CA--C 1.54 1.6 0 N-CA-C 116.051 1.181 . . . . 0.0 116.051 -178.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 69.6 m -63.19 146.58 95.85 Favored Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 125.337 1.455 . . . . 0.0 111.427 178.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -73.89 -14.35 24.0 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 122.692 2.261 . . . . 0.0 114.989 -177.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 . . . . . 0 N--CA 1.472 0.658 0 C-N-CA 125.25 1.42 . . . . 0.0 111.908 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1764 ' ' SER . . . . . . . . . . . . . 61.1 m . . . . . 0 CA--C 1.541 0.612 0 N-CA-C 112.081 0.401 . . . . 0.0 112.081 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1765 ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -50.44 -32.49 34.48 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 124.272 3.314 . . . . 0.0 115.191 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1766 ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -60.38 -20.67 60.42 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.048 1.339 . . . . 0.0 113.284 177.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1767 ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -58.7 -29.53 66.73 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.258 1.023 . . . . 0.0 111.704 176.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1768 ' ' SER . . . . . . . . . . . . . 88.9 p -57.9 -40.07 79.46 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.474 -0.766 . . . . 0.0 111.463 174.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1769 ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -69.92 -41.85 74.08 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.259 1.023 . . . . 0.0 110.737 175.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1770 ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -54.87 -48.98 72.25 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 119.73 1.15 . . . . 0.0 110.797 176.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1771 ' ' LEU . . . . . . . . . . . . . 8.7 mp -66.72 -38.66 87.16 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.05 1.34 . . . . 0.0 111.656 177.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1772 ' ' SER . . . . . . . . . . . . . 72.1 m -69.24 -38.37 78.45 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.183 -0.948 . . . . 0.0 112.473 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1773 ' ' ILE . . . . . . . . . . . . . 45.4 mt -57.79 -60.23 2.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 124.434 1.094 . . . . 0.0 109.429 176.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -59.05 -35.1 72.76 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1775 ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -64.15 -53.6 46.89 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.893 0.877 . . . . 0.0 110.275 174.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1776 ' ' CYS . . . . . . . . . . . . . 34.5 t -58.58 -31.85 68.41 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.475 0.71 . . . . 0.0 111.843 176.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1777 ' ' ILE . . . . . . . . . . . . . 50.8 mt -64.49 -29.89 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 O-C-N 120.451 -1.406 . . . . 0.0 111.691 174.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1778 ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -62.59 -43.54 98.57 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.369 1.441 . . . . 0.0 109.56 174.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1779 ' ' SER . . . . . . . . . . . . . 4.0 m -60.75 -43.9 97.39 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.989 1.715 . . . . 0.0 110.502 175.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1780 ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.14 -59.27 5.34 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.126 1.771 . . . . 0.0 110.618 176.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 96.9 t -54.92 -48.16 75.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.211 1.004 . . . . 0.0 111.17 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1782 ' ' HIS . . . . . . . . . . . . . 27.3 t60 -55.0 -59.85 4.18 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.464 0.706 . . . . 0.0 110.482 176.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1783 ' ' ALA . . . . . . . . . . . . . . . -57.49 -28.98 63.9 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -178.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1784 ' ' CYS . . . . . . . . . . . . . 60.9 m -73.14 -17.67 61.36 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 176.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1785 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -119.88 -14.56 8.94 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.869 1.268 . . . . 0.0 114.392 179.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1786 ' ' CYS . . . . . . . . . . . . . 13.0 t -51.23 117.17 2.41 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.698 1.999 . . . . 0.0 112.21 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1787 ' ' ARG . . . . . . . . . . . . . 66.3 mmt-85 -71.04 -5.71 33.43 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.989 1.716 . . . . 0.0 114.705 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1788 ' ' ASN . . . . . . . . . . . . . 38.8 t30 -128.81 109.05 10.95 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.734 1.614 . . . . 0.0 112.243 -178.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -59.17 -13.66 8.06 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 177.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1790 ' ' ASN . . . . . . . . . . . . . 15.9 m120 -109.3 10.24 25.66 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.195 1.798 . . . . 0.0 113.983 -178.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1791 ' ' CYS . . . . . . . . . . . . . 49.4 t -44.05 114.59 0.69 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.179 2.192 . . . . 0.0 111.607 178.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1792 ' ' SER . . . . . . . . . . . . . 2.2 m -73.23 1.55 9.13 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 116.372 1.989 . . . . 0.0 116.372 -173.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1793 ' ' LEU . . . . . . . . . . . . . 17.4 tp -62.37 126.86 88.9 Favored Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 124.802 1.241 . . . . 0.0 108.802 177.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1794 ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -57.8 -34.29 98.04 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.325 2.017 . . . . 0.0 114.432 -174.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1795 ' ' SER . . . . . . . . . . . . . 8.3 p -66.29 -53.25 38.82 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.792 0.837 . . . . 0.0 111.031 174.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1796 ' ' CYS . . . . . . . . . . . . . 9.8 t -56.13 -49.95 72.47 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.618 1.567 . . . . 0.0 110.869 178.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1797 ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -46.94 -58.44 3.95 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.973 1.709 . . . . 0.0 111.298 175.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1798 ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -63.48 -40.72 97.84 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1799 ' ' MET . . . . . . . . . . . . . 3.3 tpt -59.57 -41.59 90.54 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.353 0.524 . . . . 0.0 111.958 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1800 ' ' LYS . . . . . . . . . . . . . 6.1 mptp? -54.81 -35.73 64.21 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.944 0.897 . . . . 0.0 112.598 177.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1801 ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -60.78 -56.44 21.17 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.867 1.212 . . . . 0.0 111.356 176.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1802 ' ' VAL . . . . . . . . . . . . . 16.2 m -63.85 -37.87 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 118.713 0.688 . . . . 0.0 112.442 178.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1803 ' ' VAL . . . . . . . . . . . . . 41.4 t -60.99 -50.62 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.373 1.069 . . . . 0.0 110.692 176.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1804 ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -62.83 -30.22 71.33 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.059 0.944 . . . . 0.0 112.099 176.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1805 ' ' HIS . . . . . . . . . . . . . 5.8 t60 -68.21 -65.7 0.66 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.814 0.846 . . . . 0.0 110.356 176.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1806 ' ' THR . . . . . . . . . . . . . 13.4 t -53.66 -34.57 59.09 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -176.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1807 ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -74.05 -10.11 59.3 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1808 ' ' GLY . . . . . . . . . . . . . . . -143.22 6.86 2.03 Favored Glycine 0 CA--C 1.538 1.527 0 N-CA-C 117.415 1.726 . . . . 0.0 117.415 -176.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1809 ' ' CYS . . . . . . . . . . . . . 41.1 t -55.81 146.76 20.72 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 119.355 1.577 . . . . 0.0 113.221 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1810 ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -66.19 -23.0 66.37 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.531 1.932 . . . . 0.0 113.305 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1811 ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -134.1 -30.33 1.2 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 -178.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1812 ' ' LYS . . . . . . . . . . . . . 61.2 mtpt 55.6 -174.33 0.05 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.05 1.74 . . . . 0.0 113.883 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 9.9 p -55.99 -44.05 78.22 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.523 -1.36 . . . . 0.0 112.573 177.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1814 ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -61.32 -22.0 64.49 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.403 1.081 . . . . 0.0 113.515 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1815 ' ' GLY . . . . . . . . . . . . . . . -101.91 -6.25 49.39 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.82 1.676 . . . . 0.0 113.61 176.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1816 ' ' GLY . . . . . . . . . . . . . . . 101.48 12.62 35.09 Favored Glycine 0 CA--C 1.537 1.446 0 N-CA-C 117.385 1.714 . . . . 0.0 117.385 176.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1817 ' ' CYS . . . . . . . . . . . . . 14.6 t -62.71 120.41 59.8 Favored Pre-proline 0 CA--C 1.553 1.072 0 CA-C-N 120.17 1.985 . . . . 0.0 113.355 -178.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1818 ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -66.44 -35.61 29.91 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.095 2.53 . . . . 0.0 114.057 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1819 ' ' VAL . . . . . . . . . . . . . 58.6 t -62.68 -52.4 60.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 119.722 1.147 . . . . 0.0 110.199 178.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1820 ' ' CYS . . . . . . . . . . . . . 58.3 m -55.78 -50.74 69.63 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.731 1.213 . . . . 0.0 110.097 176.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1821 ' ' LYS . . . . . 0.423 ' O ' ' HE2' ' A' 1821 ' ' LYS . 0.0 OUTLIER -53.27 -45.14 68.73 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.024 0.93 . . . . 0.0 110.903 176.868 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1822 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.62 -47.81 83.12 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.358 0.663 . . . . 0.0 112.206 177.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1823 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.58 -45.47 93.99 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.318 0.963 . . . . 0.0 111.048 176.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1824 ' ' ILE . . . . . . . . . . . . . 26.9 mm -63.23 -33.98 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 123.691 0.797 . . . . 0.0 112.094 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1825 ' ' ALA . . . . . . . . . . . . . . . -60.82 -39.65 89.83 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 120.413 1.46 . . . . 0.0 110.371 175.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1826 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.99 -44.71 79.68 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.865 0.866 . . . . 0.0 111.03 174.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1827 ' ' CYS . . . . . . . . . . . . . 77.5 m -58.78 -35.94 73.62 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.7 0.8 . . . . 0.0 110.776 175.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1828 ' ' CYS . . . . . . . . . . . . . 88.8 m -63.29 -52.61 61.26 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.962 0.905 . . . . 0.0 110.617 175.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1829 ' ' TYR . . . . . . . . . . . . . 29.6 t80 -56.5 -42.96 79.21 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.339 0.972 . . . . 0.0 111.299 176.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1830 ' ' HIS . . . . . . . . . . . . . 53.0 t60 -58.6 -61.58 2.49 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.07 0.548 . . . . 0.0 110.234 176.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1831 ' ' ALA . . . . . . . . . . . . . . . -55.67 -32.17 63.01 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.464 1.506 . . . . 0.0 114.397 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1832 ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -56.63 -48.0 78.48 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.979 1.712 . . . . 0.0 111.008 177.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1833 ' ' HIS . . . . . . . . . . . . . 44.2 m80 -90.09 -21.22 22.4 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.412 1.885 . . . . 0.0 114.958 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1834 ' ' CYS . . . . . 0.438 ' HB3' ' HE2' ' A' 1848 ' ' LYS . 6.8 t -65.37 165.01 12.55 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.854 1.261 . . . . 0.0 113.836 -178.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1835 ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -153.18 -3.17 0.21 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.279 1.832 . . . . 0.0 115.111 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1836 ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -73.13 128.71 36.26 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 120.778 -1.202 . . . . 0.0 112.029 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1837 ' ' ASN . . . . . . . . . . . . . 36.3 t30 -67.83 -21.99 65.18 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -178.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1838 ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -137.17 47.95 2.09 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.914 2.085 . . . . 0.0 111.722 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1839 ' ' CYS . . . . . . . . . . . . . 11.9 t -54.99 135.41 67.18 Favored Pre-proline 0 CA--C 1.558 1.269 0 C-N-CA 125.584 1.553 . . . . 0.0 112.044 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -65.32 -19.49 61.9 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 123.478 2.785 . . . . 0.0 115.231 -177.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1841 ' ' VAL . . . . . . . . . . . . . 81.2 t -72.02 116.56 49.75 Favored Pre-proline 0 N--CA 1.475 0.789 0 C-N-CA 124.823 1.249 . . . . 0.0 110.172 178.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -51.3 -47.71 24.67 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.953 3.102 . . . . 0.0 115.539 -178.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1843 ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -76.88 -23.99 52.6 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 114.916 1.45 . . . . 0.0 114.916 -177.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1844 ' ' CYS . . . . . . . . . . . . . 53.7 t -48.17 -67.11 0.3 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.36 1.464 . . . . 0.0 112.575 -177.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1845 ' ' LEU . . . . . . . . . . . . . 1.3 mp -53.09 -38.95 63.01 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.095 1.358 . . . . 0.0 113.467 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1846 ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -61.17 -50.1 74.52 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.59 0.756 . . . . 0.0 110.222 175.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1847 ' ' ILE . . . . . . . . . . . . . 9.8 mm -59.78 -45.92 94.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 118.841 -0.599 . . . . 0.0 110.776 175.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1848 ' ' LYS . . . . . 0.438 ' HE2' ' HB3' ' A' 1834 ' ' CYS . 66.1 mttt -50.97 -45.6 60.91 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 119.795 1.18 . . . . 0.0 111.055 176.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1849 ' ' HIS . . . . . . . . . . . . . 57.2 t60 -62.32 -47.51 83.93 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.384 0.674 . . . . 0.0 111.143 175.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1850 ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -54.33 -39.61 67.22 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.742 0.817 . . . . 0.0 112.026 177.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1851 ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.16 -33.33 75.76 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.065 1.746 . . . . 0.0 113.775 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1852 ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -85.85 -32.14 21.88 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 119.563 1.074 . . . . 0.0 113.418 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1853 ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -73.56 -4.63 35.16 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -179.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -58.23 -26.19 62.57 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.208 1.403 . . . . 0.0 113.841 178.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1855 ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 . . . . . 0 CA--C 1.539 0.521 0 C-N-CA 125.049 1.34 . . . . 0.0 111.447 178.942 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 42.6 m . . . . . 0 N--CA 1.47 0.559 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -67.58 -17.39 64.62 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.497 1.519 . . . . 0.0 114.13 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 25.3 ptp -147.19 172.01 14.47 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.745 2.018 . . . . 0.0 111.416 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.49 140.46 96.7 Favored Pre-proline 0 CA--C 1.553 1.086 0 C-N-CA 123.854 0.862 . . . . 0.0 112.51 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.58 -61.91 0.05 OUTLIER 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 123.548 2.832 . . . . 0.0 112.679 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -161.91 175.6 11.69 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 128.241 2.617 . . . . 0.0 110.273 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -145.89 130.06 8.68 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 124.95 1.3 . . . . 0.0 109.926 176.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -63.34 -19.17 67.68 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 122.685 2.257 . . . . 0.0 115.289 -175.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -82.12 -16.0 51.42 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.452 -0.78 . . . . 0.0 112.86 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -60.52 -30.28 69.64 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.619 1.1 . . . . 0.0 113.951 -176.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -64.17 -45.69 87.3 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.419 1.088 . . . . 0.0 111.019 177.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.44 -48.41 70.07 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.868 1.267 . . . . 0.0 110.893 176.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 74.0 t -52.86 -45.97 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.049 0.94 . . . . 0.0 110.065 176.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 71.1 m -58.86 -29.28 66.85 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -75.5 -20.74 58.55 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 120.647 1.567 . . . . 0.0 112.585 176.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 5.7 mt -90.19 -53.23 9.45 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 C-N-CA 125.458 1.503 . . . . 0.0 110.092 176.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -149.26 93.09 4.17 Favored Pre-proline 0 CA--C 1.558 1.285 0 C-N-CA 127.244 2.218 . . . . 0.0 111.87 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -75.74 171.24 18.56 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 124.283 3.322 . . . . 0.0 113.783 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -67.51 -19.56 65.32 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 23.1 p -75.49 -51.51 12.82 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.566 1.547 . . . . 0.0 113.247 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 35.1 m -144.47 157.27 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 125.737 1.615 . . . . 0.0 113.19 -177.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 8.1 tpt -74.38 52.75 0.49 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.966 2.106 . . . . 0.0 111.984 175.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 28.0 tp -45.68 -28.46 1.01 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 127.797 2.439 . . . . 0.0 115.603 -174.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.56 -16.75 17.01 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.529 1.132 . . . . 0.0 113.817 175.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 4.1 p -73.38 -14.72 16.78 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 C-N-CA 124.555 1.142 . . . . 0.0 112.343 174.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -131.86 -30.14 1.63 Allowed 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.23 169.16 18.82 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 120.231 1.378 . . . . 0.0 112.213 177.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.95 114.82 1.18 Allowed Glycine 0 CA--C 1.53 1.002 0 C-N-CA 124.1 0.857 . . . . 0.0 113.946 -177.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 67.1 mt -66.02 112.92 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 125.107 1.363 . . . . 0.0 109.512 176.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -76.29 67.23 2.51 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.802 1.241 . . . . 0.0 110.568 176.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 59.5 tp -53.47 -24.87 14.13 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 127.284 2.234 . . . . 0.0 113.285 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 16.1 mt -55.78 -22.02 22.19 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 127.877 2.471 . . . . 0.0 112.891 176.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.7 t -67.43 -14.01 62.54 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.468 1.907 . . . . 0.0 115.257 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -49.85 148.98 5.0 Favored Pre-proline 0 CA--C 1.55 0.977 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 -176.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -67.54 120.37 7.4 Favored 'Trans proline' 0 CA--C 1.547 1.128 0 C-N-CA 123.099 2.533 . . . . 0.0 111.719 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -76.37 174.98 11.93 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 123.422 2.748 . . . . 0.0 112.443 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -132.25 71.23 79.77 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 125.229 1.412 . . . . 0.0 111.602 178.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -70.17 -11.45 30.32 Favored 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 123.747 2.964 . . . . 0.0 114.499 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -81.71 6.62 64.95 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.58 1.562 . . . . 0.0 115.195 178.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 31.5 p -51.91 108.29 1.03 Allowed Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 127.817 2.447 . . . . 0.0 112.657 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -53.91 -34.26 75.43 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.601 2.868 . . . . 0.0 115.677 -177.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 . . . . . 0 N--CA 1.471 0.581 0 C-N-CA 124.924 1.29 . . . . 0.0 111.625 178.357 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_