data_2ruz_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 2ruz _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 CA--C 1.539 0.548 0 CA-C-O 121.529 0.68 . . . . 0.0 111.918 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.1 mt -103.87 147.19 27.61 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 127.062 2.145 . . . . 0.0 108.338 168.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -122.17 147.83 45.68 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.187 0.995 . . . . 0.0 112.569 -171.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.2 t -66.75 130.86 94.0 Favored Pre-proline 0 CA--C 1.552 1.04 0 C-N-CA 124.216 1.006 . . . . 0.0 111.219 174.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -81.46 -7.34 12.75 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.938 3.092 . . . . 0.0 113.577 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.0 m -77.93 139.51 39.21 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.832 0.853 . . . . 0.0 112.259 -169.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -63.17 136.61 57.85 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.683 0.793 . . . . 0.0 112.085 177.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.55 -5.61 36.21 Favored Glycine 0 CA--C 1.54 1.653 0 C-N-CA 124.695 1.14 . . . . 0.0 115.676 -177.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.9 t -84.41 156.98 21.55 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.267 1.427 . . . . 0.0 111.667 174.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -135.17 6.69 3.35 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.926 1.69 . . . . 0.0 112.913 -175.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -72.54 140.56 48.21 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.633 1.173 . . . . 0.0 113.394 -174.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.9 p -145.37 154.43 42.29 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.893 1.277 . . . . 0.0 112.453 170.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.6 t -158.32 147.97 15.12 Favored Pre-proline 0 N--CA 1.476 0.861 0 C-N-CA 125.158 1.383 . . . . 0.0 111.407 -177.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -76.15 -5.8 16.62 Favored 'Trans proline' 0 CA--C 1.546 1.099 0 C-N-CA 122.563 2.175 . . . . 0.0 113.763 175.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -112.35 128.9 56.42 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.263 1.025 . . . . 0.0 113.523 -174.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.0 ptmt -64.94 -32.96 74.93 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -82.55 -33.26 28.22 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.065 0.946 . . . . 0.0 111.556 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -63.06 -37.45 87.26 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.668 0.667 . . . . 0.0 111.083 168.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.8 tp -65.48 -46.69 78.79 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 118.872 -0.585 . . . . 0.0 111.99 173.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -57.83 -42.81 85.12 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.411 1.005 . . . . 0.0 112.089 174.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.05 -26.73 68.98 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 173.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -79.57 -34.81 40.57 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.72 0.808 . . . . 0.0 112.833 170.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 42.7 mt -58.23 -33.08 68.95 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 120.761 1.619 . . . . 0.0 111.982 175.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -58.93 -22.59 60.17 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.779 1.232 . . . . 0.0 113.868 173.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.93 -20.8 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.404 1.082 . . . . 0.0 112.641 174.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 . . . . . 0 CA--C 1.539 0.545 0 C-N-CA 125.312 1.445 . . . . 0.0 112.635 177.88 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 CA--C 1.538 0.514 0 CA-C-O 121.156 0.503 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.9 mt -93.09 151.65 19.74 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.756 1.622 . . . . 0.0 108.599 168.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -128.39 150.32 50.16 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.186 0.994 . . . . 0.0 113.379 -177.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.3 t -69.96 133.21 88.15 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 125.255 1.422 . . . . 0.0 111.621 174.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -86.35 -13.69 5.11 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 124.037 3.158 . . . . 0.0 114.022 -176.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 37.8 m -71.23 142.0 50.6 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.078 0.951 . . . . 0.0 112.229 -171.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -64.58 141.59 58.72 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.373 -0.829 . . . . 0.0 112.72 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.93 -6.68 25.56 Favored Glycine 0 CA--C 1.541 1.695 0 C-N-CA 124.504 1.05 . . . . 0.0 115.408 -174.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.8 t -97.39 153.56 18.01 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.073 1.749 . . . . 0.0 111.329 175.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -142.68 12.15 1.88 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.08 1.352 . . . . 0.0 113.144 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -56.8 143.91 35.09 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.862 1.265 . . . . 0.0 112.609 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 93.9 p -142.46 151.22 41.51 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.473 1.109 . . . . 0.0 113.313 176.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.7 t -160.74 148.66 12.71 Favored Pre-proline 0 N--CA 1.476 0.853 0 C-N-CA 125.032 1.333 . . . . 0.0 111.802 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -77.33 -9.54 17.58 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 122.51 2.14 . . . . 0.0 113.69 175.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -111.22 129.88 55.82 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.487 1.04 . . . . 0.0 113.258 -173.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -65.31 -32.75 74.57 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -77.59 -32.26 53.55 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.025 0.83 . . . . 0.0 111.753 178.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -64.25 -39.45 93.98 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.155 0.582 . . . . 0.0 111.083 169.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 42.8 tp -66.17 -44.47 83.94 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 118.782 -0.628 . . . . 0.0 111.845 174.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -57.79 -43.42 85.62 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.596 1.089 . . . . 0.0 112.036 173.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.19 -28.19 69.5 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 173.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -79.99 -36.59 35.76 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.62 0.768 . . . . 0.0 113.047 171.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.09 -32.69 70.03 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 120.233 -1.542 . . . . 0.0 111.847 176.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.34 -17.1 57.99 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 173.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.3 -25.44 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.992 0.917 . . . . 0.0 112.108 172.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 . . . . . 0 CA--C 1.539 0.555 0 C-N-CA 125.012 1.325 . . . . 0.0 113.501 -178.647 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 CA--C 1.539 0.543 0 CA-C-O 121.608 0.718 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.2 mt -81.09 152.3 27.91 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.289 1.435 . . . . 0.0 109.005 168.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -130.4 146.7 52.01 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.33 1.052 . . . . 0.0 112.348 -173.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.2 t -70.53 129.38 90.19 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 124.293 1.037 . . . . 0.0 110.575 172.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -85.0 -5.86 9.58 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 124.025 3.15 . . . . 0.0 113.476 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.1 m -74.15 140.39 45.15 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.96 0.904 . . . . 0.0 112.377 -169.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -62.0 134.22 56.35 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.445 -0.785 . . . . 0.0 112.235 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.28 -5.42 43.21 Favored Glycine 0 CA--C 1.54 1.638 0 C-N-CA 124.696 1.141 . . . . 0.0 115.601 -176.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.3 t -86.66 156.42 20.0 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.211 1.404 . . . . 0.0 111.659 174.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -138.2 9.12 2.73 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.843 1.657 . . . . 0.0 112.817 -175.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -72.61 139.76 47.6 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.678 1.191 . . . . 0.0 113.298 -174.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.6 p -145.05 153.47 41.49 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.47 1.508 . . . . 0.0 112.491 172.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 t -160.31 148.2 12.92 Favored Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 124.683 1.193 . . . . 0.0 111.933 -177.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -75.42 -7.99 19.22 Favored 'Trans proline' 0 CA--C 1.544 1.006 0 C-N-CA 122.569 2.179 . . . . 0.0 113.841 174.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -113.25 131.83 55.76 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -172.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.91 -42.65 99.33 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.622 1.169 . . . . 0.0 113.206 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -76.6 -32.52 58.13 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.832 0.853 . . . . 0.0 111.744 -177.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -63.69 -38.37 90.87 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 118.691 0.678 . . . . 0.0 111.376 169.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.6 tp -66.18 -45.07 82.15 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 118.784 -0.627 . . . . 0.0 111.861 173.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -56.08 -43.18 77.75 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.614 1.097 . . . . 0.0 112.278 173.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.39 -20.5 66.41 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 174.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -88.74 -40.32 13.31 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.975 0.91 . . . . 0.0 112.494 169.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.2 mt -57.83 -34.95 70.24 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.556 -1.34 . . . . 0.0 112.538 -177.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -59.38 -22.62 61.64 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 174.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.5 -23.49 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.311 1.045 . . . . 0.0 112.35 175.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 . . . . . 0 CA--C 1.546 0.818 0 C-N-CA 125.394 1.478 . . . . 0.0 113.825 178.935 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 CA--C 1.541 0.633 0 CA-C-O 121.313 0.578 . . . . 0.0 111.425 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.1 mt -76.39 152.93 36.11 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.205 1.002 . . . . 0.0 108.892 167.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -124.05 150.22 45.21 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 177.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.5 t -65.0 133.4 95.76 Favored Pre-proline 0 CA--C 1.553 1.079 0 C-N-CA 125.544 1.538 . . . . 0.0 111.773 172.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -84.65 -13.83 6.84 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 124.025 3.15 . . . . 0.0 114.122 -176.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.2 m -70.99 140.98 51.01 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.871 0.869 . . . . 0.0 112.388 -171.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -60.83 134.38 57.03 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.731 0.813 . . . . 0.0 112.339 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.12 -6.01 45.66 Favored Glycine 0 CA--C 1.541 1.678 0 C-N-CA 124.777 1.179 . . . . 0.0 115.484 -176.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.7 t -93.14 148.5 21.97 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.455 1.502 . . . . 0.0 111.11 174.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -141.07 20.0 2.28 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.14 1.376 . . . . 0.0 112.524 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -60.58 141.94 56.05 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.416 1.086 . . . . 0.0 111.745 175.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.0 p -139.55 152.41 46.87 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.389 1.076 . . . . 0.0 113.514 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -161.32 147.89 11.45 Favored Pre-proline 0 N--CA 1.475 0.808 0 C-N-CA 124.993 1.317 . . . . 0.0 111.142 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -78.57 -7.27 15.75 Favored 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 122.372 2.048 . . . . 0.0 114.025 177.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -114.01 130.95 56.51 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.695 1.134 . . . . 0.0 113.259 -175.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -31.81 73.17 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 177.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -74.07 -36.61 64.33 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.489 1.04 . . . . 0.0 111.597 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.67 -33.58 76.22 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.517 0.727 . . . . 0.0 111.503 172.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 45.9 tp -69.96 -46.57 64.95 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 118.968 -0.539 . . . . 0.0 111.727 173.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -55.7 -43.84 76.84 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 118.956 0.798 . . . . 0.0 112.142 174.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.47 -29.17 68.88 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.0 0.92 . . . . 0.0 113.447 173.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -80.82 -33.72 34.49 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 118.92 0.782 . . . . 0.0 112.891 171.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 76.6 mt -57.99 -33.7 69.18 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 120.667 1.576 . . . . 0.0 111.693 175.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -60.09 -21.82 61.99 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 173.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.17 -24.53 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 119.24 0.927 . . . . 0.0 112.016 173.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 . . . . . 0 CA--C 1.541 0.605 0 C-N-CA 125.242 1.417 . . . . 0.0 112.699 177.579 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.4 mt . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.0 mt -82.67 148.29 28.01 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.216 1.406 . . . . 0.0 108.579 167.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -115.98 148.98 39.53 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.621 1.169 . . . . 0.0 112.117 -178.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.4 t -68.46 132.73 91.19 Favored Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 124.482 1.113 . . . . 0.0 111.596 172.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -82.95 -14.64 8.57 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 123.838 3.025 . . . . 0.0 113.931 -177.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.5 m -72.06 140.44 48.97 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.972 0.909 . . . . 0.0 112.41 -172.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -63.26 137.2 58.12 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.879 0.872 . . . . 0.0 112.57 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.37 -6.19 38.99 Favored Glycine 0 CA--C 1.541 1.687 0 C-N-CA 124.832 1.206 . . . . 0.0 115.676 -177.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.3 t -84.85 151.73 24.1 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.31 1.444 . . . . 0.0 111.56 175.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -130.99 8.73 4.81 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.973 1.709 . . . . 0.0 113.642 -177.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -68.73 141.03 55.38 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.682 1.193 . . . . 0.0 113.158 -176.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.4 p -145.08 150.53 36.99 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.164 1.386 . . . . 0.0 112.429 172.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -158.77 147.79 14.48 Favored Pre-proline 0 N--CA 1.476 0.871 0 C-N-CA 124.979 1.311 . . . . 0.0 111.58 -175.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -78.13 -8.64 16.51 Favored 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 122.302 2.001 . . . . 0.0 113.757 177.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -113.06 129.71 56.41 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.24 1.016 . . . . 0.0 113.118 -172.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -65.57 -31.8 73.04 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -77.29 -34.5 55.54 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.91 0.777 . . . . 0.0 111.407 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.4 -38.83 92.41 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.156 0.582 . . . . 0.0 111.074 170.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.6 tp -64.66 -47.26 79.12 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 118.726 -0.654 . . . . 0.0 111.857 174.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -57.42 -43.56 83.88 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.563 1.074 . . . . 0.0 112.175 175.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.91 -27.99 69.2 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 173.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -80.18 -34.97 37.06 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.634 0.774 . . . . 0.0 113.075 171.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.5 mt -58.51 -34.03 70.5 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 120.764 1.62 . . . . 0.0 111.616 175.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.48 -11.56 24.72 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.03 1.332 . . . . 0.0 114.425 174.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -76.41 -24.24 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.143 0.977 . . . . 0.0 112.292 171.167 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 . . . . . 0 CA--C 1.543 0.686 0 C-N-CA 125.239 1.416 . . . . 0.0 113.773 -177.418 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 CA--C 1.538 0.484 0 CA-C-O 121.338 0.589 . . . . 0.0 111.853 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.9 mt -97.36 147.66 23.95 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.298 1.839 . . . . 0.0 108.407 168.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -125.32 147.1 49.27 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.253 1.021 . . . . 0.0 112.491 -173.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.0 t -69.57 128.22 92.26 Favored Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 124.453 1.101 . . . . 0.0 110.989 175.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_exo -71.98 -18.81 27.42 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.281 2.654 . . . . 0.0 114.578 -178.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.9 m -66.92 129.4 39.78 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.133 0.973 . . . . 0.0 111.554 -173.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.0 -31.9 72.78 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -170.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.16 -1.85 90.19 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 124.702 1.144 . . . . 0.0 115.224 175.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.1 t -95.48 170.05 9.62 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.784 1.633 . . . . 0.0 112.878 -174.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -141.17 4.54 1.84 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.293 1.837 . . . . 0.0 112.792 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -76.32 140.12 41.35 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.331 1.052 . . . . 0.0 113.719 -171.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.0 p -145.26 154.17 42.08 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.347 1.459 . . . . 0.0 112.202 170.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.2 t -158.94 149.15 15.44 Favored Pre-proline 0 N--CA 1.477 0.911 0 C-N-CA 124.818 1.247 . . . . 0.0 111.854 -176.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.75 -8.56 19.28 Favored 'Trans proline' 0 CA--C 1.546 1.087 0 C-N-CA 122.628 2.218 . . . . 0.0 113.566 172.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -111.18 121.31 44.96 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.506 1.123 . . . . 0.0 112.942 -171.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -62.6 -26.09 68.43 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 176.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -85.37 -31.68 22.82 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.852 0.861 . . . . 0.0 111.967 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -67.96 -35.75 78.92 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.416 0.553 . . . . 0.0 111.149 169.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.5 tp -64.23 -47.02 81.27 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.123 0.569 . . . . 0.0 111.905 172.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -56.64 -43.91 80.76 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 119.009 0.822 . . . . 0.0 112.399 173.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.33 -19.31 65.9 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 174.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -90.88 -38.49 12.88 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.788 1.235 . . . . 0.0 112.712 171.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 76.4 mt -59.05 -27.93 65.97 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.386 -1.446 . . . . 0.0 113.297 -175.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.1 pttm -62.12 -19.37 62.94 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.961 1.304 . . . . 0.0 114.258 173.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -24.66 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.897 1.279 . . . . 0.0 112.558 -177.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 . . . . . 0 CA--C 1.541 0.611 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 -173.053 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 CA--C 1.539 0.539 0 CA-C-O 120.931 0.396 . . . . 0.0 111.425 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.0 mt -94.18 138.68 31.93 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.809 1.644 . . . . 0.0 108.488 168.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -108.57 146.74 32.84 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.422 1.089 . . . . 0.0 111.868 -175.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.1 t -67.62 130.12 93.24 Favored Pre-proline 0 CA--C 1.552 1.048 0 C-N-CA 124.074 0.949 . . . . 0.0 110.64 169.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -83.07 -6.25 11.24 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 C-N-CA 123.95 3.1 . . . . 0.0 113.563 -178.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.0 m -75.38 139.67 42.52 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.689 0.796 . . . . 0.0 112.153 -169.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -62.38 134.13 56.03 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.563 0.745 . . . . 0.0 112.176 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.28 -4.86 46.57 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 124.677 1.132 . . . . 0.0 115.658 -177.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.9 t -84.28 157.57 21.5 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.022 1.329 . . . . 0.0 111.728 174.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -136.81 6.99 2.95 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.881 1.672 . . . . 0.0 112.826 -176.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -73.06 141.21 47.6 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.575 1.15 . . . . 0.0 113.377 -174.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.6 p -145.63 154.09 41.75 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.581 1.152 . . . . 0.0 112.668 169.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.3 t -158.14 147.58 14.97 Favored Pre-proline 0 N--CA 1.476 0.832 0 C-N-CA 125.158 1.383 . . . . 0.0 111.303 -178.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -76.34 -5.35 16.09 Favored 'Trans proline' 0 CA--C 1.544 1.019 0 C-N-CA 122.539 2.159 . . . . 0.0 114.152 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -115.3 131.89 56.79 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.65 1.114 . . . . 0.0 113.622 -174.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -54.73 -44.83 73.89 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.431 1.492 . . . . 0.0 112.99 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -81.12 -28.41 35.15 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.357 0.663 . . . . 0.0 111.815 -173.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.85 -37.05 85.16 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.767 -0.583 . . . . 0.0 110.745 168.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.8 tp -66.56 -45.53 79.04 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.868 -0.587 . . . . 0.0 111.648 173.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -57.3 -41.58 80.13 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.45 1.023 . . . . 0.0 112.43 174.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.46 -18.7 65.52 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 173.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -89.7 -37.92 14.23 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.201 1.001 . . . . 0.0 112.422 169.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.2 mt -56.04 -35.87 67.37 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 120.472 1.487 . . . . 0.0 112.532 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -61.07 -21.72 63.92 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.66 1.355 . . . . 0.0 114.66 175.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.15 -23.69 33.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.159 0.984 . . . . 0.0 112.339 175.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 . . . . . 0 CA--C 1.543 0.688 0 C-N-CA 124.95 1.3 . . . . 0.0 113.726 179.224 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 CA--C 1.539 0.546 0 CA-C-O 121.278 0.561 . . . . 0.0 111.849 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.5 mt -95.0 150.81 19.76 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.333 1.853 . . . . 0.0 108.299 168.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -127.78 151.83 48.53 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.626 0.972 . . . . 0.0 113.626 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.9 t -69.19 135.34 89.18 Favored Pre-proline 0 CA--C 1.554 1.114 0 C-N-CA 125.52 1.528 . . . . 0.0 111.453 174.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -82.29 -13.79 9.79 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 124.002 3.134 . . . . 0.0 114.07 -175.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 95.1 m -68.11 133.77 49.48 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.027 0.931 . . . . 0.0 111.655 -175.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -66.4 -32.26 73.54 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -172.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.99 4.57 74.97 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 125.057 1.313 . . . . 0.0 115.227 174.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.4 t -117.72 158.48 24.64 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.55 1.94 . . . . 0.0 112.001 -172.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -144.1 16.91 1.74 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.283 1.433 . . . . 0.0 112.614 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -62.92 143.05 58.04 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.193 0.997 . . . . 0.0 112.317 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.1 p -143.7 151.57 40.22 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.593 1.157 . . . . 0.0 113.15 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 t -160.37 148.41 13.01 Favored Pre-proline 0 N--CA 1.475 0.824 0 C-N-CA 125.252 1.421 . . . . 0.0 111.1 179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -78.26 -7.2 16.03 Favored 'Trans proline' 0 CA--C 1.544 0.986 0 C-N-CA 122.299 1.999 . . . . 0.0 113.214 172.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -104.59 125.95 51.22 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.467 1.107 . . . . 0.0 113.199 -173.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -69.41 -20.18 63.8 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -91.86 -34.17 14.64 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.33 1.052 . . . . 0.0 111.906 176.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.82 -37.31 81.57 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.172 0.896 . . . . 0.0 111.562 170.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.3 tp -65.68 -44.54 85.91 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 122.881 0.473 . . . . 0.0 112.179 173.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -62.83 -32.38 73.58 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.93 -36.16 75.1 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.414 1.085 . . . . 0.0 112.562 169.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -73.22 -37.28 66.46 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.458 -0.776 . . . . 0.0 112.993 175.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 79.5 mt -56.26 -31.22 63.38 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 120.058 1.299 . . . . 0.0 112.786 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -65.45 -22.67 66.78 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.722 1.209 . . . . 0.0 113.502 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.93 -26.15 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.161 0.985 . . . . 0.0 112.151 177.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 . . . . . 0 CA--C 1.545 0.763 0 C-N-CA 125.093 1.357 . . . . 0.0 114.006 178.788 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 CA--C 1.539 0.546 0 CA-C-O 121.798 0.808 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.0 mt -80.94 153.4 27.55 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.664 1.585 . . . . 0.0 109.14 168.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -126.06 151.35 47.27 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.224 1.01 . . . . 0.0 113.35 177.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.3 t -68.78 133.36 90.43 Favored Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 125.439 1.496 . . . . 0.0 111.267 173.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -84.91 -8.17 9.19 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 124.222 3.281 . . . . 0.0 114.052 -176.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.0 m -71.61 133.77 45.94 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.802 0.841 . . . . 0.0 111.185 -175.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -70.59 -24.62 62.79 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.536 1.31 . . . . 0.0 114.536 -170.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.96 8.49 76.05 Favored Glycine 0 CA--C 1.539 1.59 0 C-N-CA 125.077 1.323 . . . . 0.0 114.808 172.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.2 t -128.9 158.04 39.9 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.788 2.035 . . . . 0.0 112.033 -169.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -145.26 16.22 1.51 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.456 1.503 . . . . 0.0 112.855 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -62.26 144.38 55.66 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.741 1.216 . . . . 0.0 112.733 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.6 p -141.52 151.27 43.13 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.089 1.356 . . . . 0.0 112.998 175.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 t -160.04 147.71 12.9 Favored Pre-proline 0 N--CA 1.476 0.85 0 C-N-CA 124.71 1.204 . . . . 0.0 111.964 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -76.33 -7.42 17.94 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 122.626 2.217 . . . . 0.0 113.684 173.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -114.79 129.85 56.76 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.387 1.075 . . . . 0.0 113.439 -172.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -68.87 -30.89 69.49 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -78.28 -35.23 48.28 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.976 0.807 . . . . 0.0 111.195 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.93 -38.16 89.91 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 118.486 0.585 . . . . 0.0 111.231 169.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 45.9 tp -65.38 -45.59 83.46 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 118.596 -0.716 . . . . 0.0 111.846 173.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -56.11 -43.88 78.56 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 120.021 1.282 . . . . 0.0 112.454 174.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.85 -15.44 61.87 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 173.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -97.9 -30.0 12.99 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.551 1.54 . . . . 0.0 113.27 169.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.53 -34.61 78.66 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 119.672 -1.893 . . . . 0.0 112.008 176.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -60.98 -24.14 65.89 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 176.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.6 t -62.94 -31.46 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 126.252 1.821 . . . . 0.0 111.52 175.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 . . . . . 0 N--CA 1.469 0.524 0 C-N-CA 124.629 1.172 . . . . 0.0 113.954 -176.387 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 CA--C 1.538 0.495 0 CA-C-O 121.154 0.502 . . . . 0.0 111.956 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.6 mt -74.77 151.44 39.12 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.608 1.563 . . . . 0.0 109.079 168.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -133.43 145.52 50.35 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.827 0.851 . . . . 0.0 112.506 -168.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.0 t -70.62 129.43 90.02 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 124.175 0.99 . . . . 0.0 111.14 176.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -83.55 -6.36 10.81 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 124.191 3.261 . . . . 0.0 113.415 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.0 m -72.95 139.63 46.89 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.087 0.955 . . . . 0.0 112.055 -169.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -61.97 133.25 55.13 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.527 -0.733 . . . . 0.0 112.178 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.16 -4.45 47.55 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 124.681 1.134 . . . . 0.0 115.65 -177.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.5 t -85.51 157.19 20.49 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.187 1.395 . . . . 0.0 111.766 175.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -138.19 8.65 2.71 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.748 1.619 . . . . 0.0 112.834 -175.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -72.11 141.22 49.18 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.651 1.18 . . . . 0.0 113.478 -174.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.2 p -145.36 154.28 42.13 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.082 1.353 . . . . 0.0 112.818 172.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.8 t -159.4 148.12 14.01 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 124.877 1.271 . . . . 0.0 112.052 -176.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -76.26 -8.72 18.77 Favored 'Trans proline' 0 CA--C 1.545 1.062 0 C-N-CA 122.634 2.223 . . . . 0.0 113.835 174.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -111.58 128.61 56.09 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 119.635 1.107 . . . . 0.0 113.077 -174.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -55.39 -42.52 74.13 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.059 1.344 . . . . 0.0 112.783 174.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -77.37 -29.3 53.25 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 121.784 -0.572 . . . . 0.0 112.293 -174.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -64.85 -40.18 94.74 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.215 1.006 . . . . 0.0 110.745 169.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.9 tp -66.74 -42.79 85.68 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.001 0.52 . . . . 0.0 111.815 175.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -58.32 -44.43 88.64 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.138 0.881 . . . . 0.0 112.101 173.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.18 -31.3 72.41 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.742 0.817 . . . . 0.0 113.161 173.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -75.87 -38.62 57.74 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.324 -0.86 . . . . 0.0 112.848 173.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 84.2 mt -58.3 -32.24 68.26 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 120.304 1.411 . . . . 0.0 112.171 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.88 -22.7 65.77 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.593 1.157 . . . . 0.0 113.83 173.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -28.73 45.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 119.438 1.017 . . . . 0.0 111.989 176.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 . . . . . 0 CA--C 1.54 0.565 0 C-N-CA 124.543 1.137 . . . . 0.0 112.818 -179.669 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 mp . . . . . 0 CA--C 1.54 0.565 0 CA-C-O 121.49 0.662 . . . . 0.0 112.268 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.5 mt -82.01 152.77 26.52 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.438 1.495 . . . . 0.0 108.774 167.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -124.37 147.8 47.98 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.5 1.12 . . . . 0.0 112.452 -175.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.0 t -67.79 133.39 92.31 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 124.46 1.104 . . . . 0.0 111.6 176.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -79.82 -8.91 14.54 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 123.82 3.013 . . . . 0.0 113.888 -177.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.9 m -75.49 130.99 39.79 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.004 0.82 . . . . 0.0 111.316 -176.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.88 -32.74 74.21 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -171.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.28 0.29 89.05 Favored Glycine 0 CA--C 1.54 1.611 0 C-N-CA 124.732 1.158 . . . . 0.0 115.113 175.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.6 t -101.45 166.89 10.49 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.109 1.764 . . . . 0.0 112.681 -173.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -140.82 6.03 2.0 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.151 1.781 . . . . 0.0 112.903 -177.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -74.02 143.08 45.69 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.7 1.2 . . . . 0.0 113.734 -173.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.1 p -145.24 153.86 41.76 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.354 1.461 . . . . 0.0 112.472 171.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 t -159.39 147.8 13.76 Favored Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 124.799 1.24 . . . . 0.0 112.006 -178.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -75.47 -9.21 20.04 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 122.604 2.202 . . . . 0.0 114.131 175.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -112.64 125.14 53.97 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.94 1.245 . . . . 0.0 113.172 -175.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' H ' ' HD3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -55.23 -35.26 64.74 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.894 1.278 . . . . 0.0 113.35 171.379 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -71.24 -38.12 71.95 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.151 0.887 . . . . 0.0 112.066 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -38.33 86.73 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.725 1.21 . . . . 0.0 110.411 176.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.1 tp -64.95 -48.21 74.9 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.448 0.699 . . . . 0.0 111.81 174.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -57.98 -42.53 85.28 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.402 1.001 . . . . 0.0 112.049 175.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.89 -27.88 69.67 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 173.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -80.61 -34.07 35.4 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.222 1.009 . . . . 0.0 113.063 172.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.6 mt -58.29 -31.96 67.99 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 120.657 1.571 . . . . 0.0 112.138 176.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -56.64 -27.35 58.27 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.883 1.273 . . . . 0.0 113.502 172.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.98 -23.14 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 124.523 1.129 . . . . 0.0 112.511 177.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 . . . . . 0 CA--C 1.54 0.587 0 C-N-CA 125.039 1.336 . . . . 0.0 113.125 178.228 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 mp . . . . . 0 CA--C 1.538 0.489 0 CA-C-O 121.984 0.897 . . . . 0.0 112.687 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.7 mt -93.6 153.51 18.36 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 127.441 2.296 . . . . 0.0 108.912 168.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -123.75 147.46 47.48 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.414 1.086 . . . . 0.0 112.447 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.6 t -68.7 130.66 91.69 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 124.39 1.076 . . . . 0.0 110.692 171.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -84.15 -6.5 10.25 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 124.144 3.229 . . . . 0.0 113.674 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.3 m -75.58 138.89 41.76 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.776 0.83 . . . . 0.0 112.137 -169.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -62.63 134.0 55.7 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.551 0.74 . . . . 0.0 112.092 177.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.66 -5.84 43.5 Favored Glycine 0 CA--C 1.541 1.675 0 C-N-CA 124.683 1.135 . . . . 0.0 115.54 -176.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.8 t -91.11 151.74 20.88 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.47 1.508 . . . . 0.0 111.285 173.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -135.73 10.49 3.39 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.634 1.574 . . . . 0.0 112.926 -173.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -70.45 141.53 52.06 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.01 1.324 . . . . 0.0 113.23 -175.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.0 p -145.56 151.52 38.26 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.257 1.423 . . . . 0.0 112.646 173.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -160.54 146.43 11.43 Favored Pre-proline 0 N--CA 1.478 0.973 0 C-N-CA 124.705 1.202 . . . . 0.0 111.969 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -76.3 -9.02 18.89 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 122.828 2.352 . . . . 0.0 113.334 172.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -103.69 113.06 26.29 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.111 1.364 . . . . 0.0 112.35 -174.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -59.3 -35.33 73.59 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 121.225 -0.922 . . . . 0.0 113.42 178.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -71.7 -32.09 67.45 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.796 0.838 . . . . 0.0 112.498 178.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -73.22 -35.25 66.28 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.789 0.835 . . . . 0.0 111.47 172.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.0 tp -64.54 -45.31 87.7 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 118.918 -0.563 . . . . 0.0 111.712 170.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -55.08 -45.12 75.35 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.556 1.071 . . . . 0.0 112.318 173.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.15 -19.04 65.79 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 174.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -93.44 -31.24 14.68 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.547 1.539 . . . . 0.0 112.923 172.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.65 -36.21 82.1 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 119.884 -1.76 . . . . 0.0 111.874 177.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -61.79 -23.83 66.46 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.45 -27.31 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 125.563 1.545 . . . . 0.0 111.31 175.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 . . . . . 0 CA--C 1.544 0.718 0 C-N-CA 125.376 1.471 . . . . 0.0 114.36 -179.195 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.6 mp . . . . . 0 CA--C 1.539 0.525 0 CA-C-O 121.598 0.714 . . . . 0.0 112.154 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.2 mt -87.66 152.31 22.26 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.176 1.79 . . . . 0.0 108.548 168.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -126.04 152.47 45.75 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 176.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.5 t -67.86 132.99 92.21 Favored Pre-proline 0 CA--C 1.556 1.184 0 C-N-CA 125.467 1.507 . . . . 0.0 111.429 173.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -87.62 -12.33 4.53 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 124.139 3.226 . . . . 0.0 114.028 -176.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.9 m -69.77 142.76 53.16 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.928 0.891 . . . . 0.0 112.411 -171.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.62 134.46 57.09 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.681 0.793 . . . . 0.0 112.424 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.31 -3.53 52.83 Favored Glycine 0 CA--C 1.541 1.666 0 C-N-CA 124.644 1.116 . . . . 0.0 115.465 -176.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.9 t -100.21 147.42 25.74 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.927 1.691 . . . . 0.0 111.237 176.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -144.08 24.78 1.62 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.165 1.386 . . . . 0.0 112.457 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -60.1 142.63 53.87 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.339 1.056 . . . . 0.0 111.495 173.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.5 p -142.79 150.63 40.25 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.505 1.122 . . . . 0.0 113.541 178.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -161.54 148.05 11.27 Favored Pre-proline 0 N--CA 1.476 0.845 0 C-N-CA 125.147 1.379 . . . . 0.0 111.427 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -76.58 -6.94 17.44 Favored 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 122.642 2.228 . . . . 0.0 113.39 172.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -107.87 121.66 45.21 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.653 1.181 . . . . 0.0 112.691 -173.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -61.4 -26.51 67.9 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 176.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -85.2 -31.76 23.03 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.853 0.861 . . . . 0.0 112.176 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -68.5 -35.29 77.31 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 121.761 -0.587 . . . . 0.0 111.051 169.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.1 tp -65.41 -45.22 84.79 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 118.985 -0.531 . . . . 0.0 111.771 172.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -57.46 -43.88 84.36 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.279 0.945 . . . . 0.0 112.333 173.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.62 -20.47 65.7 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 173.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -90.23 -38.46 13.43 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.117 0.967 . . . . 0.0 112.637 169.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 71.6 mt -58.17 -35.39 71.51 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.389 -1.444 . . . . 0.0 112.407 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -59.32 -22.19 60.88 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 173.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.75 -23.24 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 124.141 0.977 . . . . 0.0 112.098 173.033 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 . . . . . 0 CA--C 1.542 0.66 0 C-N-CA 125.889 1.676 . . . . 0.0 112.738 175.888 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 mp . . . . . 0 CA--C 1.537 0.464 0 CA-C-O 121.634 0.731 . . . . 0.0 112.111 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.6 mt -85.62 153.06 22.64 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.06 1.744 . . . . 0.0 108.9 168.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -125.67 146.41 49.74 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.499 1.12 . . . . 0.0 112.346 -175.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.5 t -69.51 132.81 89.2 Favored Pre-proline 0 CA--C 1.555 1.145 0 C-N-CA 124.499 1.12 . . . . 0.0 110.781 173.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -81.07 -12.93 11.64 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 123.833 3.022 . . . . 0.0 114.05 -174.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 96.3 m -69.99 132.11 45.42 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.902 0.881 . . . . 0.0 111.557 -175.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.41 -32.36 73.7 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -171.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.82 -0.57 89.56 Favored Glycine 0 CA--C 1.54 1.626 0 C-N-CA 124.845 1.212 . . . . 0.0 115.165 174.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.7 t -101.39 165.35 11.31 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.189 1.796 . . . . 0.0 112.499 -175.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -140.89 6.88 2.03 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.954 1.702 . . . . 0.0 112.796 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -75.49 140.9 43.1 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.699 1.2 . . . . 0.0 113.593 -172.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.5 p -145.28 152.35 39.78 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.476 1.51 . . . . 0.0 112.529 172.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.4 t -159.78 147.12 12.75 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 124.731 1.213 . . . . 0.0 111.827 -177.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -75.52 -7.26 18.55 Favored 'Trans proline' 0 CA--C 1.543 0.939 0 C-N-CA 122.726 2.284 . . . . 0.0 114.215 176.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -114.82 131.77 56.71 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.584 1.084 . . . . 0.0 113.514 -173.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -70.03 -25.98 63.83 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -84.21 -34.99 23.81 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.846 0.858 . . . . 0.0 111.034 176.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -61.92 -35.65 79.01 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 118.504 0.593 . . . . 0.0 111.541 169.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.3 tp -68.11 -46.9 69.65 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 118.761 -0.638 . . . . 0.0 111.79 173.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -56.65 -41.99 78.15 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.662 1.119 . . . . 0.0 112.701 175.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.74 -17.24 62.83 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 124.825 1.25 . . . . 0.0 114.25 172.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -95.6 -37.98 10.6 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.602 1.161 . . . . 0.0 112.855 169.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.8 mt -56.42 -35.64 68.04 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 120.548 1.522 . . . . 0.0 112.451 -178.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -59.55 -23.42 62.85 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 175.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -24.5 36.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.167 0.987 . . . . 0.0 112.191 176.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 . . . . . 0 CA--C 1.545 0.785 0 C-N-CA 125.325 1.45 . . . . 0.0 113.95 179.403 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 mp . . . . . 0 CA--C 1.54 0.584 0 CA-C-O 121.826 0.822 . . . . 0.0 113.19 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.8 mt -86.52 153.31 21.94 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.636 1.974 . . . . 0.0 109.819 168.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.75 141.48 51.15 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.149 1.38 . . . . 0.0 111.665 -176.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.1 t -59.05 130.19 86.5 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 124.543 1.137 . . . . 0.0 111.449 171.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -79.11 -6.81 15.09 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.871 3.047 . . . . 0.0 113.494 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.7 m -76.32 138.04 40.24 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.667 0.787 . . . . 0.0 111.581 -174.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -61.59 129.89 43.27 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.609 0.764 . . . . 0.0 112.168 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.99 -3.14 47.34 Favored Glycine 0 CA--C 1.54 1.651 0 C-N-CA 124.697 1.142 . . . . 0.0 115.906 -178.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.5 t -87.36 126.52 34.91 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 119.184 1.492 . . . . 0.0 110.9 177.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -99.37 1.41 44.32 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.639 1.576 . . . . 0.0 114.103 -172.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -63.3 137.45 58.19 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 124.274 1.03 . . . . 0.0 113.251 -175.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.1 p -144.86 151.17 38.33 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.845 1.258 . . . . 0.0 112.589 173.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.4 t -158.64 146.9 13.88 Favored Pre-proline 0 N--CA 1.477 0.888 0 C-N-CA 124.833 1.253 . . . . 0.0 111.806 -177.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -76.01 -8.58 18.99 Favored 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 122.614 2.21 . . . . 0.0 113.09 172.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -107.4 117.6 34.52 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.194 1.398 . . . . 0.0 113.061 -172.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.95 -47.0 71.76 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.716 1.607 . . . . 0.0 112.626 177.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -72.79 -28.97 62.9 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -177.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -71.12 -35.18 71.66 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 121.659 -0.65 . . . . 0.0 111.615 170.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.4 tp -64.66 -45.52 86.38 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 118.841 -0.6 . . . . 0.0 111.618 170.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -57.47 -42.19 82.11 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.496 1.043 . . . . 0.0 112.144 174.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.91 -13.48 59.77 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 172.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -97.15 -29.64 13.48 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.726 1.61 . . . . 0.0 113.0 170.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.16 -37.17 81.93 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 119.924 -1.735 . . . . 0.0 112.191 176.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -62.64 -21.31 65.58 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.1 t -62.37 -31.14 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.747 1.619 . . . . 0.0 111.045 173.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 . . . . . 0 CA--C 1.538 0.518 0 C-N-CA 124.776 1.23 . . . . 0.0 113.434 -178.714 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.8 mp . . . . . 0 CA--C 1.539 0.552 0 CA-C-O 121.669 0.747 . . . . 0.0 112.051 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.1 mt -90.08 153.42 20.56 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.649 1.98 . . . . 0.0 109.258 169.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -124.54 148.8 47.56 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.128 0.971 . . . . 0.0 113.534 -176.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.3 t -66.48 132.01 94.22 Favored Pre-proline 0 CA--C 1.554 1.123 0 C-N-CA 124.775 1.23 . . . . 0.0 110.927 170.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -86.18 -13.14 5.51 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 123.896 3.064 . . . . 0.0 113.953 -176.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.6 m -71.78 141.28 49.72 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.793 0.837 . . . . 0.0 112.439 -169.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -60.63 134.2 56.84 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.622 0.769 . . . . 0.0 112.336 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.15 -4.72 53.64 Favored Glycine 0 CA--C 1.541 1.684 0 C-N-CA 124.675 1.131 . . . . 0.0 115.484 -175.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.8 t -99.36 147.81 24.84 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.816 1.646 . . . . 0.0 111.096 174.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -142.5 17.98 2.03 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.783 1.233 . . . . 0.0 113.086 -178.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -60.35 138.91 57.89 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.828 1.251 . . . . 0.0 112.09 176.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.9 p -138.57 151.63 47.47 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.604 1.161 . . . . 0.0 113.252 177.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -158.93 147.39 13.98 Favored Pre-proline 0 N--CA 1.476 0.857 0 C-N-CA 125.094 1.358 . . . . 0.0 111.095 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -74.67 -7.35 19.32 Favored 'Trans proline' 0 CA--C 1.545 1.052 0 C-N-CA 122.661 2.241 . . . . 0.0 113.811 174.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -110.65 130.12 55.65 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 119.567 1.076 . . . . 0.0 113.835 -174.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -56.79 -43.86 81.31 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.361 1.465 . . . . 0.0 113.231 176.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -81.49 -30.83 33.16 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.537 0.735 . . . . 0.0 111.638 -174.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.66 -37.45 87.4 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 118.6 0.636 . . . . 0.0 110.708 167.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.0 tp -66.42 -46.04 77.88 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-O 118.443 -0.789 . . . . 0.0 111.935 173.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -56.99 -42.44 80.27 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 119.837 1.199 . . . . 0.0 112.45 175.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.61 -24.0 66.4 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 173.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -88.57 -32.88 17.91 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.306 1.042 . . . . 0.0 113.082 170.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.7 mt -57.05 -35.17 69.01 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 121.447 1.93 . . . . 0.0 111.064 172.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -57.87 -21.45 43.02 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.163 1.385 . . . . 0.0 114.697 173.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 m -70.89 -21.97 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 120.34 1.427 . . . . 0.0 112.518 173.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 . . . . . 0 CA--C 1.541 0.609 0 C-N-CA 125.861 1.664 . . . . 0.0 113.065 -179.221 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.6 mt . . . . . 0 CA--C 1.539 0.524 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.5 mt -80.57 152.47 28.59 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.109 1.363 . . . . 0.0 108.094 166.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -125.85 151.15 47.23 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.8 t -64.11 130.94 94.82 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 124.765 1.226 . . . . 0.0 111.407 172.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -82.8 -7.41 11.4 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 124.13 3.22 . . . . 0.0 113.409 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.4 m -74.06 140.58 45.45 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.836 0.854 . . . . 0.0 111.852 -171.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -64.87 139.88 58.81 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.285 -0.884 . . . . 0.0 112.298 176.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.15 -5.61 25.75 Favored Glycine 0 CA--C 1.544 1.866 0 C-N-CA 124.581 1.086 . . . . 0.0 115.592 -174.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.7 t -95.36 152.9 17.98 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.917 1.687 . . . . 0.0 111.378 176.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -141.68 16.15 2.16 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.103 1.361 . . . . 0.0 112.801 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -63.15 144.73 56.66 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.605 1.162 . . . . 0.0 112.672 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.7 p -143.79 149.38 36.97 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.109 1.364 . . . . 0.0 113.128 178.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.6 t -159.24 148.04 14.14 Favored Pre-proline 0 N--CA 1.478 0.962 0 C-N-CA 125.293 1.437 . . . . 0.0 111.357 -176.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -78.08 -6.64 15.92 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.296 1.997 . . . . 0.0 113.759 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -115.45 131.5 56.91 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.418 1.087 . . . . 0.0 113.593 -171.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -69.45 -24.59 63.83 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -86.53 -35.26 19.64 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.316 0.962 . . . . 0.0 111.325 176.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -61.78 -35.75 79.07 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 118.836 0.744 . . . . 0.0 111.343 169.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 55.3 tp -66.2 -48.69 69.82 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.334 0.654 . . . . 0.0 111.914 173.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -57.16 -41.24 78.84 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 118.881 0.764 . . . . 0.0 112.741 176.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.61 -28.51 69.67 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.219 1.008 . . . . 0.0 113.358 172.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -79.07 -31.15 44.32 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.208 -0.933 . . . . 0.0 112.859 170.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.8 mt -56.88 -27.53 60.63 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.935 1.698 . . . . 0.0 112.022 173.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -62.97 -30.09 71.31 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.727 1.211 . . . . 0.0 113.404 175.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.8 m -62.8 -26.61 41.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 119.907 1.231 . . . . 0.0 112.389 -175.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 . . . . . 0 CA--C 1.546 0.816 0 C-N-CA 125.625 1.57 . . . . 0.0 113.751 -178.416 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 CA--C 1.54 0.584 0 CA-C-O 121.521 0.677 . . . . 0.0 112.097 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.9 mt -106.78 153.07 23.0 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.157 2.183 . . . . 0.0 108.497 168.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -127.33 150.82 49.42 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.367 1.067 . . . . 0.0 113.653 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.6 t -64.25 131.87 95.15 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 125.458 1.503 . . . . 0.0 111.42 173.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -83.05 -7.08 11.22 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 124.063 3.175 . . . . 0.0 113.568 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.2 m -74.66 140.65 44.38 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.695 0.798 . . . . 0.0 112.237 -170.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -61.42 133.89 56.28 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.462 -0.774 . . . . 0.0 112.165 177.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.13 -3.43 52.23 Favored Glycine 0 CA--C 1.542 1.721 0 C-N-CA 124.646 1.117 . . . . 0.0 115.488 -176.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.7 t -98.68 151.72 20.42 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.863 1.665 . . . . 0.0 111.089 176.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -141.47 10.73 2.08 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.929 1.292 . . . . 0.0 113.315 -178.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -56.33 141.73 40.63 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.053 1.341 . . . . 0.0 112.298 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.8 p -139.88 151.61 45.78 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 176.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 t -159.44 148.46 14.23 Favored Pre-proline 0 N--CA 1.475 0.819 0 C-N-CA 125.692 1.597 . . . . 0.0 110.795 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -75.99 -11.78 19.69 Favored 'Trans proline' 0 CA--C 1.546 1.08 0 C-N-CA 122.435 2.09 . . . . 0.0 113.117 172.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -102.35 120.19 40.08 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.893 1.277 . . . . 0.0 112.611 -174.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -62.04 -33.76 74.97 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 121.285 -0.884 . . . . 0.0 113.348 177.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -69.62 -41.7 75.31 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.688 0.795 . . . . 0.0 111.782 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -63.12 -38.5 91.44 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.091 1.357 . . . . 0.0 111.718 171.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.3 tp -65.27 -46.47 80.36 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 118.952 -0.547 . . . . 0.0 111.975 174.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -57.61 -42.4 83.2 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.233 0.924 . . . . 0.0 111.93 174.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.48 -26.98 68.17 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 173.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -78.21 -31.41 49.39 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 120.949 -1.094 . . . . 0.0 112.664 170.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.2 mt -56.32 -28.18 58.06 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 120.948 1.704 . . . . 0.0 111.968 173.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -63.07 -27.69 69.57 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.571 1.548 . . . . 0.0 113.754 174.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.3 m -65.3 -22.78 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 CA-C-N 119.956 1.253 . . . . 0.0 112.357 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 . . . . . 0 CA--C 1.545 0.755 0 C-N-CA 125.177 1.391 . . . . 0.0 113.565 -179.433 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 CA--C 1.539 0.549 0 CA-C-O 120.912 0.386 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.0 mt -113.33 129.77 56.44 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.973 1.709 . . . . 0.0 109.509 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt -95.3 146.15 24.58 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.019 1.327 . . . . 0.0 113.501 -174.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.2 t -65.61 134.13 95.34 Favored Pre-proline 0 CA--C 1.554 1.104 0 C-N-CA 125.452 1.501 . . . . 0.0 111.292 169.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -67.62 -23.58 42.67 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 123.412 2.742 . . . . 0.0 114.676 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.9 m -70.12 132.53 45.97 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.937 0.895 . . . . 0.0 112.264 -171.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -65.65 132.94 50.03 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.669 0.788 . . . . 0.0 112.066 178.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.12 -0.48 58.82 Favored Glycine 0 CA--C 1.54 1.651 0 N-CA-C 115.749 1.06 . . . . 0.0 115.749 -178.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.5 t -79.03 -48.63 14.07 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.885 1.342 . . . . 0.0 112.357 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . 0.28 2.0 p30 51.4 9.06 0.06 Allowed 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 129.711 3.205 . . . . 0.0 117.427 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -56.81 142.14 41.91 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.544 1.537 . . . . 0.0 112.604 177.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 p -143.94 154.39 43.26 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 169.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 t -151.73 149.24 23.43 Favored Pre-proline 0 N--CA 1.472 0.656 0 C-N-CA 126.221 1.809 . . . . 0.0 110.338 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -76.38 -3.61 14.03 Favored 'Trans proline' 0 CA--C 1.544 0.975 0 C-N-CA 122.832 2.355 . . . . 0.0 114.238 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -116.09 130.58 56.87 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.498 1.119 . . . . 0.0 112.942 -175.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -69.17 -23.86 63.99 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 -178.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -87.05 -34.05 19.32 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.129 0.971 . . . . 0.0 111.477 176.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -62.83 -36.06 81.98 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 118.861 0.755 . . . . 0.0 111.599 169.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.1 tp -67.02 -45.29 77.96 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.29 0.496 . . . . 0.0 111.676 173.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -59.07 -42.16 89.72 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.138 0.881 . . . . 0.0 112.561 175.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.65 -29.19 69.91 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.041 0.936 . . . . 0.0 113.093 171.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -77.63 -34.76 53.19 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.657 0.783 . . . . 0.0 112.88 170.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 68.7 mt -56.7 -33.35 66.37 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.745 1.611 . . . . 0.0 112.185 176.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -60.25 -23.24 63.94 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.661 1.184 . . . . 0.0 113.874 174.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.08 -23.86 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.053 0.941 . . . . 0.0 112.305 176.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 . . . . . 0 CA--C 1.541 0.63 0 C-N-CA 124.823 1.249 . . . . 0.0 113.385 178.697 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 CA--C 1.539 0.551 0 CA-C-O 121.437 0.637 . . . . 0.0 111.779 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.2 mt -89.85 150.08 22.38 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.141 1.776 . . . . 0.0 108.395 168.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -126.72 147.38 49.97 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.152 0.981 . . . . 0.0 112.664 -172.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.9 t -67.98 132.17 92.18 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 124.331 1.052 . . . . 0.0 111.178 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -80.19 -8.84 14.09 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.99 3.127 . . . . 0.0 113.888 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.1 m -74.16 129.73 38.4 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.793 0.837 . . . . 0.0 111.101 -177.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.83 -31.2 71.66 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -172.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.56 3.43 82.53 Favored Glycine 0 CA--C 1.539 1.565 0 C-N-CA 125.037 1.303 . . . . 0.0 115.28 174.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.5 t -108.99 160.07 16.31 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.192 1.797 . . . . 0.0 112.319 -174.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -132.45 4.35 3.97 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.264 1.826 . . . . 0.0 113.011 -177.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -72.63 141.16 48.32 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.581 1.152 . . . . 0.0 113.801 -172.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.1 p -145.06 153.7 41.72 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.437 1.495 . . . . 0.0 112.542 171.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -160.18 148.41 13.25 Favored Pre-proline 0 N--CA 1.477 0.908 0 C-N-CA 125.209 1.404 . . . . 0.0 111.408 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -75.81 -7.89 18.74 Favored 'Trans proline' 0 CA--C 1.547 1.135 0 C-N-CA 122.412 2.075 . . . . 0.0 113.3 173.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -108.21 121.12 44.21 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.608 1.163 . . . . 0.0 113.108 -172.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -64.28 -24.54 67.7 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 176.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -84.93 -26.49 27.2 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.468 -0.77 . . . . 0.0 112.472 177.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -73.87 -40.32 63.32 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.645 -0.659 . . . . 0.0 110.441 169.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.6 tp -64.66 -49.24 71.77 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 118.573 -0.727 . . . . 0.0 112.379 176.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -60.88 -33.06 72.52 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.775 1.17 . . . . 0.0 112.508 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.84 -28.48 61.62 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 175.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -76.84 -31.63 57.01 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.447 1.099 . . . . 0.0 112.841 171.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.0 mt -55.22 -31.46 61.49 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 121.064 1.756 . . . . 0.0 112.159 175.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -66.08 -24.72 66.76 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.398 1.479 . . . . 0.0 113.89 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.3 m -63.53 -26.84 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 120.012 1.278 . . . . 0.0 112.262 -178.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 . . . . . 0 CA--C 1.543 0.707 0 C-N-CA 125.66 1.584 . . . . 0.0 113.872 -177.409 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.589 0 N-CA-C 112.138 -0.385 . . . . 0.0 112.138 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.8 p -146.1 160.15 42.31 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.5 1.52 . . . . 0.0 112.394 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.9 p -80.62 153.25 28.08 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.729 1.211 . . . . 0.0 113.323 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.26 168.08 30.76 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 125.056 1.312 . . . . 0.0 113.023 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 m -71.94 119.92 16.8 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.966 0.906 . . . . 0.0 111.778 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -157.75 170.24 22.81 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.381 1.472 . . . . 0.0 111.577 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.14 -178.89 36.09 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.468 1.032 . . . . 0.0 113.494 170.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.8 mm -77.98 125.64 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.772 -0.84 . . . . 0.0 109.608 175.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.9 136.16 45.21 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.943 0.897 . . . . 0.0 111.918 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.1 mt -103.87 147.19 27.61 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 127.062 2.145 . . . . 0.0 108.338 168.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -122.17 147.83 45.68 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.187 0.995 . . . . 0.0 112.569 -171.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.2 t -66.75 130.86 94.0 Favored Pre-proline 0 CA--C 1.552 1.04 0 C-N-CA 124.216 1.006 . . . . 0.0 111.219 174.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -81.46 -7.34 12.75 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.938 3.092 . . . . 0.0 113.577 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.0 m -77.93 139.51 39.21 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.832 0.853 . . . . 0.0 112.259 -169.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -63.17 136.61 57.85 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.683 0.793 . . . . 0.0 112.085 177.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.55 -5.61 36.21 Favored Glycine 0 CA--C 1.54 1.653 0 C-N-CA 124.695 1.14 . . . . 0.0 115.676 -177.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.9 t -84.41 156.98 21.55 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.267 1.427 . . . . 0.0 111.667 174.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -135.17 6.69 3.35 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.926 1.69 . . . . 0.0 112.913 -175.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -72.54 140.56 48.21 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.633 1.173 . . . . 0.0 113.394 -174.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.9 p -145.37 154.43 42.29 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.893 1.277 . . . . 0.0 112.453 170.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.6 t -158.32 147.97 15.12 Favored Pre-proline 0 N--CA 1.476 0.861 0 C-N-CA 125.158 1.383 . . . . 0.0 111.407 -177.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -76.15 -5.8 16.62 Favored 'Trans proline' 0 CA--C 1.546 1.099 0 C-N-CA 122.563 2.175 . . . . 0.0 113.763 175.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -112.35 128.9 56.42 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.263 1.025 . . . . 0.0 113.523 -174.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.0 ptmt -64.94 -32.96 74.93 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -82.55 -33.26 28.22 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.065 0.946 . . . . 0.0 111.556 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -63.06 -37.45 87.26 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.668 0.667 . . . . 0.0 111.083 168.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.8 tp -65.48 -46.69 78.79 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 118.872 -0.585 . . . . 0.0 111.99 173.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -57.83 -42.81 85.12 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.411 1.005 . . . . 0.0 112.089 174.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.05 -26.73 68.98 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 173.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -79.57 -34.81 40.57 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.72 0.808 . . . . 0.0 112.833 170.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 42.7 mt -58.23 -33.08 68.95 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 120.761 1.619 . . . . 0.0 111.982 175.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -58.93 -22.59 60.17 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.779 1.232 . . . . 0.0 113.868 173.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.93 -20.8 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.404 1.082 . . . . 0.0 112.641 174.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -100.5 -37.26 8.89 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.312 1.445 . . . . 0.0 112.635 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 77.5 p -84.53 -17.01 40.28 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -178.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.3 163.33 32.75 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.592 1.557 . . . . 0.0 112.223 176.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.6 tp -150.5 138.75 20.31 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.576 1.55 . . . . 0.0 110.278 177.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 126.336 1.854 . . . . 0.0 112.597 178.264 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.581 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -79.48 -12.87 59.87 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -174.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 m -67.48 152.15 46.15 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.966 1.306 . . . . 0.0 113.485 -177.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.64 176.24 45.56 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 125.077 1.322 . . . . 0.0 112.943 178.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.7 p -76.14 146.78 38.99 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.217 1.007 . . . . 0.0 113.11 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.2 p -158.84 167.87 28.29 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.648 1.579 . . . . 0.0 111.833 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.82 148.82 50.88 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 123.559 0.599 . . . . 0.0 112.552 171.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.6 pt -123.96 155.06 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.085 1.354 . . . . 0.0 112.793 -173.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.94 139.16 34.77 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.763 1.225 . . . . 0.0 110.847 173.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.9 mt -93.09 151.65 19.74 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.756 1.622 . . . . 0.0 108.599 168.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -128.39 150.32 50.16 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.186 0.994 . . . . 0.0 113.379 -177.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.3 t -69.96 133.21 88.15 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 125.255 1.422 . . . . 0.0 111.621 174.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -86.35 -13.69 5.11 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 124.037 3.158 . . . . 0.0 114.022 -176.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 37.8 m -71.23 142.0 50.6 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.078 0.951 . . . . 0.0 112.229 -171.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -64.58 141.59 58.72 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.373 -0.829 . . . . 0.0 112.72 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.93 -6.68 25.56 Favored Glycine 0 CA--C 1.541 1.695 0 C-N-CA 124.504 1.05 . . . . 0.0 115.408 -174.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.8 t -97.39 153.56 18.01 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.073 1.749 . . . . 0.0 111.329 175.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -142.68 12.15 1.88 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.08 1.352 . . . . 0.0 113.144 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -56.8 143.91 35.09 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.862 1.265 . . . . 0.0 112.609 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 93.9 p -142.46 151.22 41.51 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.473 1.109 . . . . 0.0 113.313 176.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.7 t -160.74 148.66 12.71 Favored Pre-proline 0 N--CA 1.476 0.853 0 C-N-CA 125.032 1.333 . . . . 0.0 111.802 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -77.33 -9.54 17.58 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 122.51 2.14 . . . . 0.0 113.69 175.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -111.22 129.88 55.82 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.487 1.04 . . . . 0.0 113.258 -173.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -65.31 -32.75 74.57 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -77.59 -32.26 53.55 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.025 0.83 . . . . 0.0 111.753 178.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -64.25 -39.45 93.98 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.155 0.582 . . . . 0.0 111.083 169.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 42.8 tp -66.17 -44.47 83.94 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 118.782 -0.628 . . . . 0.0 111.845 174.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -57.79 -43.42 85.62 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.596 1.089 . . . . 0.0 112.036 173.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.19 -28.19 69.5 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 173.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -79.99 -36.59 35.76 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.62 0.768 . . . . 0.0 113.047 171.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.09 -32.69 70.03 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 120.233 -1.542 . . . . 0.0 111.847 176.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.34 -17.1 57.99 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 173.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.3 -25.44 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.992 0.917 . . . . 0.0 112.108 172.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -94.59 -26.9 16.19 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.012 1.325 . . . . 0.0 113.501 -178.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.9 p -79.89 -22.28 43.0 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 113.302 0.852 . . . . 0.0 113.302 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.5 135.75 48.85 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.233 1.013 . . . . 0.0 111.968 174.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 47.3 tp -86.92 -29.84 21.81 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.278 1.031 . . . . 0.0 113.241 -177.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.252 1.222 0 C-N-CA 126.294 1.838 . . . . 0.0 112.566 -178.111 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.498 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -136.29 154.27 50.93 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.267 1.427 . . . . 0.0 112.015 -176.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.3 p -76.62 -15.72 59.75 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.9 -177.37 46.63 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.529 1.538 . . . . 0.0 112.857 177.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 m -134.74 149.19 50.42 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.375 1.47 . . . . 0.0 111.815 -178.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 m -73.98 -16.49 61.07 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -176.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.96 178.89 48.52 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 125.454 1.502 . . . . 0.0 112.84 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 51.7 mt -131.16 133.63 62.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 125.576 1.551 . . . . 0.0 109.221 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.2 mp -75.2 145.55 41.94 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.06 0.944 . . . . 0.0 112.34 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.2 mt -81.09 152.3 27.91 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.289 1.435 . . . . 0.0 109.005 168.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -130.4 146.7 52.01 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.33 1.052 . . . . 0.0 112.348 -173.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.2 t -70.53 129.38 90.19 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 124.293 1.037 . . . . 0.0 110.575 172.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -85.0 -5.86 9.58 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 124.025 3.15 . . . . 0.0 113.476 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.1 m -74.15 140.39 45.15 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.96 0.904 . . . . 0.0 112.377 -169.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -62.0 134.22 56.35 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.445 -0.785 . . . . 0.0 112.235 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.28 -5.42 43.21 Favored Glycine 0 CA--C 1.54 1.638 0 C-N-CA 124.696 1.141 . . . . 0.0 115.601 -176.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.3 t -86.66 156.42 20.0 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.211 1.404 . . . . 0.0 111.659 174.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -138.2 9.12 2.73 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.843 1.657 . . . . 0.0 112.817 -175.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -72.61 139.76 47.6 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.678 1.191 . . . . 0.0 113.298 -174.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.6 p -145.05 153.47 41.49 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.47 1.508 . . . . 0.0 112.491 172.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 t -160.31 148.2 12.92 Favored Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 124.683 1.193 . . . . 0.0 111.933 -177.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -75.42 -7.99 19.22 Favored 'Trans proline' 0 CA--C 1.544 1.006 0 C-N-CA 122.569 2.179 . . . . 0.0 113.841 174.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -113.25 131.83 55.76 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -172.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.91 -42.65 99.33 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.622 1.169 . . . . 0.0 113.206 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -76.6 -32.52 58.13 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.832 0.853 . . . . 0.0 111.744 -177.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -63.69 -38.37 90.87 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 118.691 0.678 . . . . 0.0 111.376 169.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.6 tp -66.18 -45.07 82.15 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 118.784 -0.627 . . . . 0.0 111.861 173.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -56.08 -43.18 77.75 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.614 1.097 . . . . 0.0 112.278 173.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.39 -20.5 66.41 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 174.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -88.74 -40.32 13.31 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.975 0.91 . . . . 0.0 112.494 169.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.2 mt -57.83 -34.95 70.24 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.556 -1.34 . . . . 0.0 112.538 -177.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -59.38 -22.62 61.64 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 174.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.5 -23.49 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.311 1.045 . . . . 0.0 112.35 175.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -96.96 -14.75 21.49 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.394 1.478 . . . . 0.0 113.825 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.6 p -125.45 2.45 7.68 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 114.83 1.419 . . . . 0.0 114.83 -170.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.12 146.09 44.42 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 121.083 -1.011 . . . . 0.0 112.918 176.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.5 mt 58.77 20.28 7.74 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 126.574 1.95 . . . . 0.0 115.46 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.6 t70 . . . . . 0 C--O 1.253 1.248 0 C-N-CA 125.076 1.351 . . . . 0.0 113.584 173.491 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.651 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -77.86 -12.79 60.01 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -174.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -148.25 168.4 22.62 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.592 1.557 . . . . 0.0 111.788 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.17 170.05 45.26 Favored Glycine 0 CA--C 1.54 1.601 0 C-N-CA 124.917 1.246 . . . . 0.0 114.316 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.0 p -78.52 -21.62 48.55 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -177.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 t -79.18 139.84 37.87 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.852 0.861 . . . . 0.0 112.258 177.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.93 -5.48 80.86 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.729 1.157 . . . . 0.0 115.118 175.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.2 pt -134.29 156.4 40.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-N 118.609 1.204 . . . . 0.0 114.046 -169.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 mp -74.58 156.47 36.76 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.669 1.588 . . . . 0.0 111.425 169.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.1 mt -76.39 152.93 36.11 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.205 1.002 . . . . 0.0 108.892 167.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -124.05 150.22 45.21 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 177.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.5 t -65.0 133.4 95.76 Favored Pre-proline 0 CA--C 1.553 1.079 0 C-N-CA 125.544 1.538 . . . . 0.0 111.773 172.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -84.65 -13.83 6.84 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 124.025 3.15 . . . . 0.0 114.122 -176.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.2 m -70.99 140.98 51.01 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.871 0.869 . . . . 0.0 112.388 -171.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -60.83 134.38 57.03 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.731 0.813 . . . . 0.0 112.339 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.12 -6.01 45.66 Favored Glycine 0 CA--C 1.541 1.678 0 C-N-CA 124.777 1.179 . . . . 0.0 115.484 -176.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.7 t -93.14 148.5 21.97 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.455 1.502 . . . . 0.0 111.11 174.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -141.07 20.0 2.28 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.14 1.376 . . . . 0.0 112.524 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -60.58 141.94 56.05 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.416 1.086 . . . . 0.0 111.745 175.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.0 p -139.55 152.41 46.87 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.389 1.076 . . . . 0.0 113.514 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -161.32 147.89 11.45 Favored Pre-proline 0 N--CA 1.475 0.808 0 C-N-CA 124.993 1.317 . . . . 0.0 111.142 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -78.57 -7.27 15.75 Favored 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 122.372 2.048 . . . . 0.0 114.025 177.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -114.01 130.95 56.51 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.695 1.134 . . . . 0.0 113.259 -175.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -31.81 73.17 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 177.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -74.07 -36.61 64.33 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.489 1.04 . . . . 0.0 111.597 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.67 -33.58 76.22 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.517 0.727 . . . . 0.0 111.503 172.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 45.9 tp -69.96 -46.57 64.95 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 118.968 -0.539 . . . . 0.0 111.727 173.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -55.7 -43.84 76.84 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 118.956 0.798 . . . . 0.0 112.142 174.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.47 -29.17 68.88 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.0 0.92 . . . . 0.0 113.447 173.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -80.82 -33.72 34.49 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 118.92 0.782 . . . . 0.0 112.891 171.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 76.6 mt -57.99 -33.7 69.18 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 120.667 1.576 . . . . 0.0 111.693 175.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -60.09 -21.82 61.99 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 173.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.17 -24.53 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 119.24 0.927 . . . . 0.0 112.016 173.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -95.89 -38.13 10.4 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.242 1.417 . . . . 0.0 112.699 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.9 p -88.11 -25.74 22.84 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -177.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 51.32 31.71 7.42 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.945 1.698 . . . . 0.0 114.061 -172.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -70.4 -40.66 73.77 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.017 1.327 . . . . 0.0 113.146 -170.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 C--O 1.251 1.166 0 C-N-CA 125.949 1.7 . . . . 0.0 112.852 -173.762 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.661 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 m -72.22 152.38 42.26 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.478 1.111 . . . . 0.0 112.92 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t 57.96 -172.65 0.09 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.962 1.705 . . . . 0.0 114.27 -176.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.74 18.48 80.07 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.83 1.205 . . . . 0.0 114.988 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.0 m -61.27 146.84 46.51 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.208 1.403 . . . . 0.0 112.991 -178.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.2 p -76.58 156.95 32.37 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.386 1.075 . . . . 0.0 113.382 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.41 13.67 54.25 Favored Glycine 0 N--CA 1.472 1.072 0 C-N-CA 125.292 1.425 . . . . 0.0 116.102 -176.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 37.7 pt -127.08 156.81 38.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.599 1.16 . . . . 0.0 113.571 -168.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.4 mt -78.18 160.43 27.99 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.099 1.359 . . . . 0.0 112.854 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.0 mt -82.67 148.29 28.01 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.216 1.406 . . . . 0.0 108.579 167.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -115.98 148.98 39.53 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.621 1.169 . . . . 0.0 112.117 -178.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.4 t -68.46 132.73 91.19 Favored Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 124.482 1.113 . . . . 0.0 111.596 172.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -82.95 -14.64 8.57 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 123.838 3.025 . . . . 0.0 113.931 -177.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.5 m -72.06 140.44 48.97 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.972 0.909 . . . . 0.0 112.41 -172.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -63.26 137.2 58.12 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.879 0.872 . . . . 0.0 112.57 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.37 -6.19 38.99 Favored Glycine 0 CA--C 1.541 1.687 0 C-N-CA 124.832 1.206 . . . . 0.0 115.676 -177.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.3 t -84.85 151.73 24.1 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.31 1.444 . . . . 0.0 111.56 175.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -130.99 8.73 4.81 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.973 1.709 . . . . 0.0 113.642 -177.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -68.73 141.03 55.38 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.682 1.193 . . . . 0.0 113.158 -176.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.4 p -145.08 150.53 36.99 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.164 1.386 . . . . 0.0 112.429 172.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -158.77 147.79 14.48 Favored Pre-proline 0 N--CA 1.476 0.871 0 C-N-CA 124.979 1.311 . . . . 0.0 111.58 -175.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -78.13 -8.64 16.51 Favored 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 122.302 2.001 . . . . 0.0 113.757 177.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -113.06 129.71 56.41 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.24 1.016 . . . . 0.0 113.118 -172.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -65.57 -31.8 73.04 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -77.29 -34.5 55.54 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.91 0.777 . . . . 0.0 111.407 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.4 -38.83 92.41 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.156 0.582 . . . . 0.0 111.074 170.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.6 tp -64.66 -47.26 79.12 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 118.726 -0.654 . . . . 0.0 111.857 174.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -57.42 -43.56 83.88 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.563 1.074 . . . . 0.0 112.175 175.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.91 -27.99 69.2 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 173.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -80.18 -34.97 37.06 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.634 0.774 . . . . 0.0 113.075 171.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.5 mt -58.51 -34.03 70.5 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 120.764 1.62 . . . . 0.0 111.616 175.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.48 -11.56 24.72 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.03 1.332 . . . . 0.0 114.425 174.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -76.41 -24.24 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.143 0.977 . . . . 0.0 112.292 171.167 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -96.1 -18.18 20.35 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.239 1.416 . . . . 0.0 113.773 -177.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.0 p -81.97 -5.07 58.02 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.79 152.68 46.6 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.744 1.617 . . . . 0.0 112.096 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -101.18 -5.69 25.26 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.993 1.317 . . . . 0.0 113.461 -176.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 C--O 1.253 1.285 0 C-N-CA 125.653 1.581 . . . . 0.0 113.95 -179.535 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 112.076 -0.41 . . . . 0.0 112.076 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 t -148.24 153.69 39.06 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.113 1.365 . . . . 0.0 111.608 178.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 m -81.16 36.25 0.41 Allowed 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.687 1.595 . . . . 0.0 114.249 -172.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.16 -136.04 49.91 Favored Glycine 0 CA--C 1.534 1.265 0 O-C-N 121.109 -0.994 . . . . 0.0 112.433 -176.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 m -59.36 -30.73 68.62 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.913 0.885 . . . . 0.0 112.952 174.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 m -78.8 -2.14 38.19 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.908 1.283 . . . . 0.0 113.564 175.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.75 -11.48 80.76 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 124.583 1.087 . . . . 0.0 114.178 171.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.4 mt -84.63 124.2 39.69 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 124.935 1.294 . . . . 0.0 109.397 175.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.57 139.47 31.41 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.318 1.047 . . . . 0.0 111.853 178.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.9 mt -97.36 147.66 23.95 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.298 1.839 . . . . 0.0 108.407 168.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -125.32 147.1 49.27 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.253 1.021 . . . . 0.0 112.491 -173.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.0 t -69.57 128.22 92.26 Favored Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 124.453 1.101 . . . . 0.0 110.989 175.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_exo -71.98 -18.81 27.42 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.281 2.654 . . . . 0.0 114.578 -178.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.9 m -66.92 129.4 39.78 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.133 0.973 . . . . 0.0 111.554 -173.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.0 -31.9 72.78 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -170.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.16 -1.85 90.19 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 124.702 1.144 . . . . 0.0 115.224 175.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.1 t -95.48 170.05 9.62 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.784 1.633 . . . . 0.0 112.878 -174.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -141.17 4.54 1.84 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.293 1.837 . . . . 0.0 112.792 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -76.32 140.12 41.35 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.331 1.052 . . . . 0.0 113.719 -171.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.0 p -145.26 154.17 42.08 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.347 1.459 . . . . 0.0 112.202 170.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.2 t -158.94 149.15 15.44 Favored Pre-proline 0 N--CA 1.477 0.911 0 C-N-CA 124.818 1.247 . . . . 0.0 111.854 -176.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.75 -8.56 19.28 Favored 'Trans proline' 0 CA--C 1.546 1.087 0 C-N-CA 122.628 2.218 . . . . 0.0 113.566 172.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -111.18 121.31 44.96 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.506 1.123 . . . . 0.0 112.942 -171.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -62.6 -26.09 68.43 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 176.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -85.37 -31.68 22.82 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.852 0.861 . . . . 0.0 111.967 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -67.96 -35.75 78.92 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.416 0.553 . . . . 0.0 111.149 169.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.5 tp -64.23 -47.02 81.27 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.123 0.569 . . . . 0.0 111.905 172.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -56.64 -43.91 80.76 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 119.009 0.822 . . . . 0.0 112.399 173.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.33 -19.31 65.9 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 174.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -90.88 -38.49 12.88 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.788 1.235 . . . . 0.0 112.712 171.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 76.4 mt -59.05 -27.93 65.97 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.386 -1.446 . . . . 0.0 113.297 -175.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.1 pttm -62.12 -19.37 62.94 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.961 1.304 . . . . 0.0 114.258 173.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -24.66 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.897 1.279 . . . . 0.0 112.558 -177.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -86.13 -9.79 56.0 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 -173.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 74.4 p -90.69 -8.05 50.95 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.161 0.985 . . . . 0.0 113.547 174.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.41 153.08 40.58 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.63 1.172 . . . . 0.0 112.716 176.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.0 tp -76.72 -31.3 57.08 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.289 1.035 . . . . 0.0 113.157 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 C--O 1.254 1.339 0 C-N-CA 126.358 1.863 . . . . 0.0 112.625 -178.647 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.445 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.4 p -66.6 -28.51 68.56 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.84 0.856 . . . . 0.0 112.477 169.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.7 m -124.91 159.78 30.38 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 127.161 2.184 . . . . 0.0 110.303 168.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.92 -161.86 46.56 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 124.102 0.858 . . . . 0.0 114.401 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.9 p -77.71 163.65 25.98 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.989 1.316 . . . . 0.0 113.177 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.4 m -137.79 151.37 48.07 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.38 1.472 . . . . 0.0 111.47 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.66 54.01 3.68 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 125.401 1.477 . . . . 0.0 114.287 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 39.2 mm -69.08 131.1 34.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 125.175 1.39 . . . . 0.0 110.615 -177.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.01 131.83 42.64 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.641 1.176 . . . . 0.0 111.425 178.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.0 mt -94.18 138.68 31.93 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.809 1.644 . . . . 0.0 108.488 168.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -108.57 146.74 32.84 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.422 1.089 . . . . 0.0 111.868 -175.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.1 t -67.62 130.12 93.24 Favored Pre-proline 0 CA--C 1.552 1.048 0 C-N-CA 124.074 0.949 . . . . 0.0 110.64 169.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -83.07 -6.25 11.24 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 C-N-CA 123.95 3.1 . . . . 0.0 113.563 -178.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.0 m -75.38 139.67 42.52 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.689 0.796 . . . . 0.0 112.153 -169.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -62.38 134.13 56.03 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.563 0.745 . . . . 0.0 112.176 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.28 -4.86 46.57 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 124.677 1.132 . . . . 0.0 115.658 -177.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.9 t -84.28 157.57 21.5 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.022 1.329 . . . . 0.0 111.728 174.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -136.81 6.99 2.95 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.881 1.672 . . . . 0.0 112.826 -176.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -73.06 141.21 47.6 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.575 1.15 . . . . 0.0 113.377 -174.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.6 p -145.63 154.09 41.75 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.581 1.152 . . . . 0.0 112.668 169.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.3 t -158.14 147.58 14.97 Favored Pre-proline 0 N--CA 1.476 0.832 0 C-N-CA 125.158 1.383 . . . . 0.0 111.303 -178.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -76.34 -5.35 16.09 Favored 'Trans proline' 0 CA--C 1.544 1.019 0 C-N-CA 122.539 2.159 . . . . 0.0 114.152 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -115.3 131.89 56.79 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.65 1.114 . . . . 0.0 113.622 -174.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -54.73 -44.83 73.89 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.431 1.492 . . . . 0.0 112.99 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -81.12 -28.41 35.15 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.357 0.663 . . . . 0.0 111.815 -173.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.85 -37.05 85.16 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.767 -0.583 . . . . 0.0 110.745 168.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.8 tp -66.56 -45.53 79.04 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.868 -0.587 . . . . 0.0 111.648 173.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -57.3 -41.58 80.13 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.45 1.023 . . . . 0.0 112.43 174.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.46 -18.7 65.52 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 173.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -89.7 -37.92 14.23 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.201 1.001 . . . . 0.0 112.422 169.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.2 mt -56.04 -35.87 67.37 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 120.472 1.487 . . . . 0.0 112.532 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -61.07 -21.72 63.92 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.66 1.355 . . . . 0.0 114.66 175.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.15 -23.69 33.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.159 0.984 . . . . 0.0 112.339 175.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -92.57 -15.78 26.5 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.95 1.3 . . . . 0.0 113.726 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.9 p -107.91 -26.18 10.85 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.602 1.161 . . . . 0.0 113.655 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.43 153.02 43.43 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.205 1.002 . . . . 0.0 112.522 173.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -153.14 156.28 38.34 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.318 1.847 . . . . 0.0 110.941 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 126.897 2.079 . . . . 0.0 112.687 178.829 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.589 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.8 m 53.41 37.28 25.15 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.112 1.365 . . . . 0.0 113.482 -174.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.1 p -143.45 165.77 26.63 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.159 1.784 . . . . 0.0 112.449 -169.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.94 -135.58 28.25 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 123.772 0.701 . . . . 0.0 112.859 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 p -77.89 36.78 0.23 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.812 1.645 . . . . 0.0 114.155 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.0 p -73.61 -19.83 60.76 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.251 1.421 . . . . 0.0 114.404 -178.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.4 6.83 81.63 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 124.468 1.032 . . . . 0.0 114.469 -170.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.5 mt 64.56 128.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 128.211 2.604 . . . . 0.0 112.794 -171.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -82.5 135.3 35.14 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.225 1.01 . . . . 0.0 111.849 -178.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.5 mt -95.0 150.81 19.76 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.333 1.853 . . . . 0.0 108.299 168.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -127.78 151.83 48.53 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.626 0.972 . . . . 0.0 113.626 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.9 t -69.19 135.34 89.18 Favored Pre-proline 0 CA--C 1.554 1.114 0 C-N-CA 125.52 1.528 . . . . 0.0 111.453 174.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -82.29 -13.79 9.79 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 124.002 3.134 . . . . 0.0 114.07 -175.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 95.1 m -68.11 133.77 49.48 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.027 0.931 . . . . 0.0 111.655 -175.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -66.4 -32.26 73.54 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -172.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.99 4.57 74.97 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 125.057 1.313 . . . . 0.0 115.227 174.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.4 t -117.72 158.48 24.64 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.55 1.94 . . . . 0.0 112.001 -172.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -144.1 16.91 1.74 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.283 1.433 . . . . 0.0 112.614 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -62.92 143.05 58.04 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.193 0.997 . . . . 0.0 112.317 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.1 p -143.7 151.57 40.22 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.593 1.157 . . . . 0.0 113.15 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 t -160.37 148.41 13.01 Favored Pre-proline 0 N--CA 1.475 0.824 0 C-N-CA 125.252 1.421 . . . . 0.0 111.1 179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -78.26 -7.2 16.03 Favored 'Trans proline' 0 CA--C 1.544 0.986 0 C-N-CA 122.299 1.999 . . . . 0.0 113.214 172.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -104.59 125.95 51.22 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.467 1.107 . . . . 0.0 113.199 -173.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -69.41 -20.18 63.8 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -91.86 -34.17 14.64 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.33 1.052 . . . . 0.0 111.906 176.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.82 -37.31 81.57 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.172 0.896 . . . . 0.0 111.562 170.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.3 tp -65.68 -44.54 85.91 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 122.881 0.473 . . . . 0.0 112.179 173.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -62.83 -32.38 73.58 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.93 -36.16 75.1 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.414 1.085 . . . . 0.0 112.562 169.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -73.22 -37.28 66.46 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.458 -0.776 . . . . 0.0 112.993 175.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 79.5 mt -56.26 -31.22 63.38 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 120.058 1.299 . . . . 0.0 112.786 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -65.45 -22.67 66.78 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.722 1.209 . . . . 0.0 113.502 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.93 -26.15 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.161 0.985 . . . . 0.0 112.151 177.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -83.11 -2.22 54.84 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.093 1.357 . . . . 0.0 114.006 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.1 t -123.52 8.68 8.97 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.302 1.441 . . . . 0.0 112.921 169.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.86 168.47 19.22 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.127 1.371 . . . . 0.0 112.415 173.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.8 tp -142.69 135.48 28.05 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.579 1.551 . . . . 0.0 110.368 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--O 1.254 1.302 0 C-N-CA 126.509 1.924 . . . . 0.0 112.519 179.337 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.492 0 N-CA-C 111.868 -0.493 . . . . 0.0 111.868 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.4 p -146.59 161.51 40.35 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.416 1.486 . . . . 0.0 112.334 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.5 m 61.29 167.9 0.1 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 126.672 1.989 . . . . 0.0 115.057 -174.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.67 141.21 34.59 Favored Glycine 0 CA--C 1.536 1.405 0 O-C-N 121.208 -0.933 . . . . 0.0 113.688 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.3 p -79.65 -7.52 58.61 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.036 1.334 . . . . 0.0 114.287 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.9 p -78.65 -1.51 34.64 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.114 1.766 . . . . 0.0 114.865 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.93 -170.88 40.31 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.009 1.29 . . . . 0.0 114.53 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 38.8 mm -104.73 140.65 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.647 1.579 . . . . 0.0 110.606 -173.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.2 mp -71.93 144.94 48.76 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.611 1.164 . . . . 0.0 112.362 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.0 mt -80.94 153.4 27.55 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.664 1.585 . . . . 0.0 109.14 168.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -126.06 151.35 47.27 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.224 1.01 . . . . 0.0 113.35 177.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.3 t -68.78 133.36 90.43 Favored Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 125.439 1.496 . . . . 0.0 111.267 173.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -84.91 -8.17 9.19 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 124.222 3.281 . . . . 0.0 114.052 -176.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.0 m -71.61 133.77 45.94 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.802 0.841 . . . . 0.0 111.185 -175.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -70.59 -24.62 62.79 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.536 1.31 . . . . 0.0 114.536 -170.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.96 8.49 76.05 Favored Glycine 0 CA--C 1.539 1.59 0 C-N-CA 125.077 1.323 . . . . 0.0 114.808 172.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.2 t -128.9 158.04 39.9 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.788 2.035 . . . . 0.0 112.033 -169.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -145.26 16.22 1.51 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.456 1.503 . . . . 0.0 112.855 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -62.26 144.38 55.66 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.741 1.216 . . . . 0.0 112.733 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.6 p -141.52 151.27 43.13 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.089 1.356 . . . . 0.0 112.998 175.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 t -160.04 147.71 12.9 Favored Pre-proline 0 N--CA 1.476 0.85 0 C-N-CA 124.71 1.204 . . . . 0.0 111.964 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -76.33 -7.42 17.94 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 122.626 2.217 . . . . 0.0 113.684 173.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -114.79 129.85 56.76 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.387 1.075 . . . . 0.0 113.439 -172.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -68.87 -30.89 69.49 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -78.28 -35.23 48.28 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.976 0.807 . . . . 0.0 111.195 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.93 -38.16 89.91 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 118.486 0.585 . . . . 0.0 111.231 169.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 45.9 tp -65.38 -45.59 83.46 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 118.596 -0.716 . . . . 0.0 111.846 173.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -56.11 -43.88 78.56 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 120.021 1.282 . . . . 0.0 112.454 174.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.85 -15.44 61.87 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 173.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -97.9 -30.0 12.99 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.551 1.54 . . . . 0.0 113.27 169.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.53 -34.61 78.66 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 119.672 -1.893 . . . . 0.0 112.008 176.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -60.98 -24.14 65.89 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 176.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.6 t -62.94 -31.46 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 126.252 1.821 . . . . 0.0 111.52 175.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -92.36 -28.04 17.16 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.629 1.172 . . . . 0.0 113.954 -176.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 t -85.71 -17.53 35.66 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.89 152.86 38.62 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.59 1.156 . . . . 0.0 112.968 175.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.2 tp -122.81 38.12 4.25 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.833 1.653 . . . . 0.0 112.009 -174.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.253 1.243 0 C-N-CA 126.464 1.906 . . . . 0.0 112.706 -179.139 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.545 0 N-CA-C 111.551 -0.619 . . . . 0.0 111.551 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.8 p -65.98 -17.58 64.77 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -174.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 m -74.29 -11.52 60.29 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.961 1.304 . . . . 0.0 113.916 173.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.71 173.28 49.98 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 124.82 1.2 . . . . 0.0 114.483 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.0 m -65.02 149.59 49.58 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.693 1.197 . . . . 0.0 113.022 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.0 p -78.97 -24.43 43.83 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.96 149.93 45.24 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.389 0.995 . . . . 0.0 113.295 174.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.4 pt -132.67 156.99 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.6 1.56 . . . . 0.0 112.07 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.2 mp -75.47 141.32 43.13 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.985 0.914 . . . . 0.0 111.956 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.6 mt -74.77 151.44 39.12 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.608 1.563 . . . . 0.0 109.079 168.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -133.43 145.52 50.35 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.827 0.851 . . . . 0.0 112.506 -168.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.0 t -70.62 129.43 90.02 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 124.175 0.99 . . . . 0.0 111.14 176.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -83.55 -6.36 10.81 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 124.191 3.261 . . . . 0.0 113.415 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.0 m -72.95 139.63 46.89 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.087 0.955 . . . . 0.0 112.055 -169.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -61.97 133.25 55.13 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.527 -0.733 . . . . 0.0 112.178 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.16 -4.45 47.55 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 124.681 1.134 . . . . 0.0 115.65 -177.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.5 t -85.51 157.19 20.49 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.187 1.395 . . . . 0.0 111.766 175.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -138.19 8.65 2.71 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.748 1.619 . . . . 0.0 112.834 -175.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -72.11 141.22 49.18 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.651 1.18 . . . . 0.0 113.478 -174.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.2 p -145.36 154.28 42.13 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.082 1.353 . . . . 0.0 112.818 172.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.8 t -159.4 148.12 14.01 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 124.877 1.271 . . . . 0.0 112.052 -176.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -76.26 -8.72 18.77 Favored 'Trans proline' 0 CA--C 1.545 1.062 0 C-N-CA 122.634 2.223 . . . . 0.0 113.835 174.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -111.58 128.61 56.09 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 119.635 1.107 . . . . 0.0 113.077 -174.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -55.39 -42.52 74.13 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.059 1.344 . . . . 0.0 112.783 174.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -77.37 -29.3 53.25 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 121.784 -0.572 . . . . 0.0 112.293 -174.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -64.85 -40.18 94.74 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.215 1.006 . . . . 0.0 110.745 169.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.9 tp -66.74 -42.79 85.68 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.001 0.52 . . . . 0.0 111.815 175.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -58.32 -44.43 88.64 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.138 0.881 . . . . 0.0 112.101 173.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.18 -31.3 72.41 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.742 0.817 . . . . 0.0 113.161 173.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -75.87 -38.62 57.74 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.324 -0.86 . . . . 0.0 112.848 173.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 84.2 mt -58.3 -32.24 68.26 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 120.304 1.411 . . . . 0.0 112.171 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.88 -22.7 65.77 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.593 1.157 . . . . 0.0 113.83 173.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -28.73 45.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 119.438 1.017 . . . . 0.0 111.989 176.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -86.19 -28.24 24.02 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.543 1.137 . . . . 0.0 112.818 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.5 p -88.7 -34.29 17.25 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.918 0.887 . . . . 0.0 113.007 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.35 -12.46 61.13 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 176.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.6 tp -68.13 -24.22 64.99 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.026 1.33 . . . . 0.0 112.84 173.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.4 t0 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 127.427 2.291 . . . . 0.0 115.007 178.81 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 112.096 -0.402 . . . . 0.0 112.096 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -79.35 48.7 0.91 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.776 1.631 . . . . 0.0 113.306 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 m -80.71 50.21 1.3 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.576 1.95 . . . . 0.0 113.439 -169.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.08 -163.92 54.3 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.85 1.214 . . . . 0.0 113.883 -174.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.8 m -65.8 141.51 58.28 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.551 1.14 . . . . 0.0 113.059 -176.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 p -93.17 -10.96 33.97 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.217 1.407 . . . . 0.0 114.784 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.16 154.69 53.18 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.511 1.053 . . . . 0.0 113.888 178.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.3 pt -90.5 147.02 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 125.009 1.324 . . . . 0.0 112.257 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 mp -97.13 150.9 20.33 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.873 1.669 . . . . 0.0 112.268 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.5 mt -82.01 152.77 26.52 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.438 1.495 . . . . 0.0 108.774 167.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -124.37 147.8 47.98 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.5 1.12 . . . . 0.0 112.452 -175.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.0 t -67.79 133.39 92.31 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 124.46 1.104 . . . . 0.0 111.6 176.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -79.82 -8.91 14.54 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 123.82 3.013 . . . . 0.0 113.888 -177.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.9 m -75.49 130.99 39.79 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.004 0.82 . . . . 0.0 111.316 -176.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.88 -32.74 74.21 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -171.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.28 0.29 89.05 Favored Glycine 0 CA--C 1.54 1.611 0 C-N-CA 124.732 1.158 . . . . 0.0 115.113 175.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.6 t -101.45 166.89 10.49 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.109 1.764 . . . . 0.0 112.681 -173.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -140.82 6.03 2.0 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.151 1.781 . . . . 0.0 112.903 -177.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -74.02 143.08 45.69 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.7 1.2 . . . . 0.0 113.734 -173.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.1 p -145.24 153.86 41.76 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.354 1.461 . . . . 0.0 112.472 171.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 t -159.39 147.8 13.76 Favored Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 124.799 1.24 . . . . 0.0 112.006 -178.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -75.47 -9.21 20.04 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 122.604 2.202 . . . . 0.0 114.131 175.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -112.64 125.14 53.97 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.94 1.245 . . . . 0.0 113.172 -175.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' H ' ' HD3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -55.23 -35.26 64.74 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.894 1.278 . . . . 0.0 113.35 171.379 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -71.24 -38.12 71.95 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.151 0.887 . . . . 0.0 112.066 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -38.33 86.73 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.725 1.21 . . . . 0.0 110.411 176.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.1 tp -64.95 -48.21 74.9 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.448 0.699 . . . . 0.0 111.81 174.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -57.98 -42.53 85.28 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.402 1.001 . . . . 0.0 112.049 175.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.89 -27.88 69.67 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 173.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -80.61 -34.07 35.4 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.222 1.009 . . . . 0.0 113.063 172.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.6 mt -58.29 -31.96 67.99 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 120.657 1.571 . . . . 0.0 112.138 176.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -56.64 -27.35 58.27 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.883 1.273 . . . . 0.0 113.502 172.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.98 -23.14 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 124.523 1.129 . . . . 0.0 112.511 177.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -96.87 -30.83 12.91 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.039 1.336 . . . . 0.0 113.125 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.6 p -83.68 -29.72 27.38 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.23 143.29 41.09 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.718 0.807 . . . . 0.0 111.752 170.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.2 mt -121.67 3.2 10.12 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.182 1.393 . . . . 0.0 113.79 -176.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--O 1.253 1.256 0 C-N-CA 126.45 1.9 . . . . 0.0 112.62 -179.234 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.693 0 N-CA-C 111.949 -0.461 . . . . 0.0 111.949 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 t -148.77 150.32 32.89 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.044 1.338 . . . . 0.0 111.825 178.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.8 p -84.76 -8.25 58.9 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.285 1.434 . . . . 0.0 113.562 171.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.51 140.81 41.52 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.386 0.993 . . . . 0.0 113.597 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 t -155.01 164.34 39.04 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.587 1.555 . . . . 0.0 111.407 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 m -68.9 -15.36 63.47 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.868 1.267 . . . . 0.0 113.79 176.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.03 -178.48 46.8 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 125.335 1.445 . . . . 0.0 113.086 176.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.0 pt -127.75 149.61 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 125.463 1.505 . . . . 0.0 111.158 176.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 mp -88.11 140.46 29.46 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.984 0.897 . . . . 0.0 112.687 -175.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.7 mt -93.6 153.51 18.36 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 127.441 2.296 . . . . 0.0 108.912 168.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -123.75 147.46 47.48 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.414 1.086 . . . . 0.0 112.447 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.6 t -68.7 130.66 91.69 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 124.39 1.076 . . . . 0.0 110.692 171.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -84.15 -6.5 10.25 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 124.144 3.229 . . . . 0.0 113.674 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.3 m -75.58 138.89 41.76 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.776 0.83 . . . . 0.0 112.137 -169.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -62.63 134.0 55.7 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.551 0.74 . . . . 0.0 112.092 177.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.66 -5.84 43.5 Favored Glycine 0 CA--C 1.541 1.675 0 C-N-CA 124.683 1.135 . . . . 0.0 115.54 -176.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.8 t -91.11 151.74 20.88 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.47 1.508 . . . . 0.0 111.285 173.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -135.73 10.49 3.39 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.634 1.574 . . . . 0.0 112.926 -173.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -70.45 141.53 52.06 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.01 1.324 . . . . 0.0 113.23 -175.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.0 p -145.56 151.52 38.26 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.257 1.423 . . . . 0.0 112.646 173.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -160.54 146.43 11.43 Favored Pre-proline 0 N--CA 1.478 0.973 0 C-N-CA 124.705 1.202 . . . . 0.0 111.969 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -76.3 -9.02 18.89 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 122.828 2.352 . . . . 0.0 113.334 172.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -103.69 113.06 26.29 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.111 1.364 . . . . 0.0 112.35 -174.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -59.3 -35.33 73.59 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 121.225 -0.922 . . . . 0.0 113.42 178.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -71.7 -32.09 67.45 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.796 0.838 . . . . 0.0 112.498 178.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -73.22 -35.25 66.28 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.789 0.835 . . . . 0.0 111.47 172.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.0 tp -64.54 -45.31 87.7 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 118.918 -0.563 . . . . 0.0 111.712 170.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -55.08 -45.12 75.35 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.556 1.071 . . . . 0.0 112.318 173.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.15 -19.04 65.79 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 174.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -93.44 -31.24 14.68 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.547 1.539 . . . . 0.0 112.923 172.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.65 -36.21 82.1 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 119.884 -1.76 . . . . 0.0 111.874 177.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -61.79 -23.83 66.46 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.45 -27.31 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 125.563 1.545 . . . . 0.0 111.31 175.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -95.35 -9.95 31.48 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.376 1.471 . . . . 0.0 114.36 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 79.9 p -119.46 -21.92 7.22 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -175.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.37 148.45 50.68 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.937 0.895 . . . . 0.0 112.518 175.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -153.96 158.23 40.33 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.419 1.887 . . . . 0.0 110.815 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.253 1.244 0 C-N-CA 126.804 2.042 . . . . 0.0 112.644 178.197 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 N-CA-C 111.953 -0.459 . . . . 0.0 111.953 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.3 t -148.84 149.5 31.41 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.069 1.348 . . . . 0.0 111.954 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.1 m -83.05 -2.85 56.41 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.941 1.296 . . . . 0.0 113.453 172.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.34 20.03 77.57 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.383 0.992 . . . . 0.0 114.412 -177.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -63.62 153.24 36.57 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.6 1.56 . . . . 0.0 113.468 -176.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.7 p -73.27 -12.32 60.81 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.62 169.15 37.79 Favored Glycine 0 CA--C 1.533 1.207 0 C-N-CA 126.078 1.799 . . . . 0.0 112.256 174.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.5 pt -81.29 148.0 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 124.59 1.156 . . . . 0.0 112.09 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.6 mp -89.57 145.85 24.98 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.079 1.352 . . . . 0.0 112.154 177.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.2 mt -87.66 152.31 22.26 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.176 1.79 . . . . 0.0 108.548 168.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -126.04 152.47 45.75 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 176.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.5 t -67.86 132.99 92.21 Favored Pre-proline 0 CA--C 1.556 1.184 0 C-N-CA 125.467 1.507 . . . . 0.0 111.429 173.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -87.62 -12.33 4.53 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 124.139 3.226 . . . . 0.0 114.028 -176.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.9 m -69.77 142.76 53.16 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.928 0.891 . . . . 0.0 112.411 -171.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.62 134.46 57.09 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.681 0.793 . . . . 0.0 112.424 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.31 -3.53 52.83 Favored Glycine 0 CA--C 1.541 1.666 0 C-N-CA 124.644 1.116 . . . . 0.0 115.465 -176.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.9 t -100.21 147.42 25.74 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.927 1.691 . . . . 0.0 111.237 176.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -144.08 24.78 1.62 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.165 1.386 . . . . 0.0 112.457 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -60.1 142.63 53.87 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.339 1.056 . . . . 0.0 111.495 173.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.5 p -142.79 150.63 40.25 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.505 1.122 . . . . 0.0 113.541 178.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -161.54 148.05 11.27 Favored Pre-proline 0 N--CA 1.476 0.845 0 C-N-CA 125.147 1.379 . . . . 0.0 111.427 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -76.58 -6.94 17.44 Favored 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 122.642 2.228 . . . . 0.0 113.39 172.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -107.87 121.66 45.21 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.653 1.181 . . . . 0.0 112.691 -173.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -61.4 -26.51 67.9 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 176.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -85.2 -31.76 23.03 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.853 0.861 . . . . 0.0 112.176 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -68.5 -35.29 77.31 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 121.761 -0.587 . . . . 0.0 111.051 169.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.1 tp -65.41 -45.22 84.79 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 118.985 -0.531 . . . . 0.0 111.771 172.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -57.46 -43.88 84.36 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.279 0.945 . . . . 0.0 112.333 173.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.62 -20.47 65.7 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 173.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -90.23 -38.46 13.43 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.117 0.967 . . . . 0.0 112.637 169.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 71.6 mt -58.17 -35.39 71.51 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.389 -1.444 . . . . 0.0 112.407 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -59.32 -22.19 60.88 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 173.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.75 -23.24 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 124.141 0.977 . . . . 0.0 112.098 173.033 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -102.17 -39.93 7.03 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.889 1.676 . . . . 0.0 112.738 175.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.9 p -95.23 -12.75 25.75 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -169.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.61 164.67 20.72 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.861 1.265 . . . . 0.0 113.155 -178.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.7 tp -149.26 138.8 21.68 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.173 1.789 . . . . 0.0 110.019 178.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 . . . . . 0 C--O 1.252 1.227 0 C-N-CA 126.374 1.87 . . . . 0.0 113.317 178.504 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.64 0 N-CA-C 111.653 -0.579 . . . . 0.0 111.653 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 m -79.62 37.7 0.35 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.744 1.618 . . . . 0.0 114.279 -173.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 m -75.82 -15.65 60.21 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.305 1.442 . . . . 0.0 114.562 -172.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.05 179.72 43.86 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 124.873 1.225 . . . . 0.0 114.285 -176.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.2 p -85.39 158.04 20.35 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.274 1.429 . . . . 0.0 113.201 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.2 m -75.65 147.89 39.13 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.457 1.103 . . . . 0.0 112.719 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.14 -158.06 52.2 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.147 0.879 . . . . 0.0 114.151 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.3 pt -133.1 151.82 34.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.68 1.592 . . . . 0.0 111.735 177.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 mp -88.74 146.06 25.26 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.429 1.092 . . . . 0.0 112.111 176.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.6 mt -85.62 153.06 22.64 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.06 1.744 . . . . 0.0 108.9 168.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -125.67 146.41 49.74 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.499 1.12 . . . . 0.0 112.346 -175.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.5 t -69.51 132.81 89.2 Favored Pre-proline 0 CA--C 1.555 1.145 0 C-N-CA 124.499 1.12 . . . . 0.0 110.781 173.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -81.07 -12.93 11.64 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 123.833 3.022 . . . . 0.0 114.05 -174.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 96.3 m -69.99 132.11 45.42 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.902 0.881 . . . . 0.0 111.557 -175.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.41 -32.36 73.7 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -171.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.82 -0.57 89.56 Favored Glycine 0 CA--C 1.54 1.626 0 C-N-CA 124.845 1.212 . . . . 0.0 115.165 174.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.7 t -101.39 165.35 11.31 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.189 1.796 . . . . 0.0 112.499 -175.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -140.89 6.88 2.03 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.954 1.702 . . . . 0.0 112.796 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -75.49 140.9 43.1 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.699 1.2 . . . . 0.0 113.593 -172.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.5 p -145.28 152.35 39.78 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.476 1.51 . . . . 0.0 112.529 172.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.4 t -159.78 147.12 12.75 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 124.731 1.213 . . . . 0.0 111.827 -177.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -75.52 -7.26 18.55 Favored 'Trans proline' 0 CA--C 1.543 0.939 0 C-N-CA 122.726 2.284 . . . . 0.0 114.215 176.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -114.82 131.77 56.71 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.584 1.084 . . . . 0.0 113.514 -173.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -70.03 -25.98 63.83 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -84.21 -34.99 23.81 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.846 0.858 . . . . 0.0 111.034 176.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -61.92 -35.65 79.01 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 118.504 0.593 . . . . 0.0 111.541 169.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.3 tp -68.11 -46.9 69.65 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 118.761 -0.638 . . . . 0.0 111.79 173.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -56.65 -41.99 78.15 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.662 1.119 . . . . 0.0 112.701 175.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.74 -17.24 62.83 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 124.825 1.25 . . . . 0.0 114.25 172.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -95.6 -37.98 10.6 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.602 1.161 . . . . 0.0 112.855 169.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.8 mt -56.42 -35.64 68.04 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 120.548 1.522 . . . . 0.0 112.451 -178.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -59.55 -23.42 62.85 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 175.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -24.5 36.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.167 0.987 . . . . 0.0 112.191 176.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -92.79 -8.22 44.26 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.325 1.45 . . . . 0.0 113.95 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 76.5 p -124.16 -37.64 2.54 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -175.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.62 -24.2 18.0 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.956 1.302 . . . . 0.0 113.395 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 60.69 -20.73 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 129.211 3.005 . . . . 0.0 117.065 177.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 C--O 1.254 1.337 0 C-N-CA 126.812 2.045 . . . . 0.0 112.869 179.528 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.651 0 N-CA-C 111.996 -0.442 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -148.47 161.86 40.78 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.214 1.405 . . . . 0.0 111.767 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 m -140.76 153.89 46.06 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.795 1.638 . . . . 0.0 112.083 -175.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.87 21.12 79.99 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 123.934 0.778 . . . . 0.0 114.959 178.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -61.76 148.41 43.08 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.335 1.454 . . . . 0.0 113.655 -175.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 m -67.28 159.96 28.1 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.84 1.256 . . . . 0.0 113.097 177.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.74 36.47 42.51 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 123.678 0.656 . . . . 0.0 114.273 177.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 67.9 mt -57.26 132.89 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 125.623 1.569 . . . . 0.0 110.437 -178.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 mp -68.89 145.57 53.56 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.862 1.265 . . . . 0.0 113.19 -172.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.8 mt -86.52 153.31 21.94 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.636 1.974 . . . . 0.0 109.819 168.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.75 141.48 51.15 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.149 1.38 . . . . 0.0 111.665 -176.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.1 t -59.05 130.19 86.5 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 124.543 1.137 . . . . 0.0 111.449 171.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -79.11 -6.81 15.09 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.871 3.047 . . . . 0.0 113.494 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.7 m -76.32 138.04 40.24 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.667 0.787 . . . . 0.0 111.581 -174.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -61.59 129.89 43.27 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.609 0.764 . . . . 0.0 112.168 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.99 -3.14 47.34 Favored Glycine 0 CA--C 1.54 1.651 0 C-N-CA 124.697 1.142 . . . . 0.0 115.906 -178.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.5 t -87.36 126.52 34.91 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 119.184 1.492 . . . . 0.0 110.9 177.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -99.37 1.41 44.32 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.639 1.576 . . . . 0.0 114.103 -172.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -63.3 137.45 58.19 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 124.274 1.03 . . . . 0.0 113.251 -175.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.1 p -144.86 151.17 38.33 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.845 1.258 . . . . 0.0 112.589 173.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.4 t -158.64 146.9 13.88 Favored Pre-proline 0 N--CA 1.477 0.888 0 C-N-CA 124.833 1.253 . . . . 0.0 111.806 -177.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -76.01 -8.58 18.99 Favored 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 122.614 2.21 . . . . 0.0 113.09 172.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -107.4 117.6 34.52 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.194 1.398 . . . . 0.0 113.061 -172.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.95 -47.0 71.76 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.716 1.607 . . . . 0.0 112.626 177.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -72.79 -28.97 62.9 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -177.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -71.12 -35.18 71.66 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 121.659 -0.65 . . . . 0.0 111.615 170.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.4 tp -64.66 -45.52 86.38 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 118.841 -0.6 . . . . 0.0 111.618 170.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -57.47 -42.19 82.11 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.496 1.043 . . . . 0.0 112.144 174.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.91 -13.48 59.77 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 172.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -97.15 -29.64 13.48 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.726 1.61 . . . . 0.0 113.0 170.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.16 -37.17 81.93 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 119.924 -1.735 . . . . 0.0 112.191 176.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -62.64 -21.31 65.58 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.1 t -62.37 -31.14 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.747 1.619 . . . . 0.0 111.045 173.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -92.24 -28.25 17.12 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.776 1.23 . . . . 0.0 113.434 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.3 p -82.19 -30.66 30.79 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.815 0.734 . . . . 0.0 112.655 175.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 52.5 38.21 24.98 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.387 1.875 . . . . 0.0 114.502 175.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.4 mt -85.94 114.62 22.99 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.436 1.494 . . . . 0.0 110.498 -178.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 C--O 1.254 1.338 0 C-N-CA 127.393 2.277 . . . . 0.0 112.781 177.142 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 N-CA-C 111.621 -0.592 . . . . 0.0 111.621 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -75.39 165.47 25.1 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.209 1.004 . . . . 0.0 112.611 177.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -62.3 145.59 53.34 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.155 1.382 . . . . 0.0 113.048 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.19 -15.9 76.86 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.111 0.862 . . . . 0.0 115.118 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.0 m -134.97 153.26 52.14 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.319 1.848 . . . . 0.0 111.364 177.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.5 m -67.31 147.97 52.28 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.335 1.054 . . . . 0.0 113.061 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.1 178.28 46.69 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.054 1.312 . . . . 0.0 112.892 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.7 mm -93.76 121.3 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.277 1.031 . . . . 0.0 110.107 178.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.8 mp -104.23 146.39 28.85 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.299 1.44 . . . . 0.0 112.051 177.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.1 mt -90.08 153.42 20.56 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.649 1.98 . . . . 0.0 109.258 169.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -124.54 148.8 47.56 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.128 0.971 . . . . 0.0 113.534 -176.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.3 t -66.48 132.01 94.22 Favored Pre-proline 0 CA--C 1.554 1.123 0 C-N-CA 124.775 1.23 . . . . 0.0 110.927 170.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -86.18 -13.14 5.51 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 123.896 3.064 . . . . 0.0 113.953 -176.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.6 m -71.78 141.28 49.72 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.793 0.837 . . . . 0.0 112.439 -169.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -60.63 134.2 56.84 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.622 0.769 . . . . 0.0 112.336 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.15 -4.72 53.64 Favored Glycine 0 CA--C 1.541 1.684 0 C-N-CA 124.675 1.131 . . . . 0.0 115.484 -175.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.8 t -99.36 147.81 24.84 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.816 1.646 . . . . 0.0 111.096 174.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -142.5 17.98 2.03 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.783 1.233 . . . . 0.0 113.086 -178.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -60.35 138.91 57.89 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.828 1.251 . . . . 0.0 112.09 176.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.9 p -138.57 151.63 47.47 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.604 1.161 . . . . 0.0 113.252 177.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -158.93 147.39 13.98 Favored Pre-proline 0 N--CA 1.476 0.857 0 C-N-CA 125.094 1.358 . . . . 0.0 111.095 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -74.67 -7.35 19.32 Favored 'Trans proline' 0 CA--C 1.545 1.052 0 C-N-CA 122.661 2.241 . . . . 0.0 113.811 174.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -110.65 130.12 55.65 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 119.567 1.076 . . . . 0.0 113.835 -174.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -56.79 -43.86 81.31 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.361 1.465 . . . . 0.0 113.231 176.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -81.49 -30.83 33.16 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.537 0.735 . . . . 0.0 111.638 -174.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.66 -37.45 87.4 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 118.6 0.636 . . . . 0.0 110.708 167.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.0 tp -66.42 -46.04 77.88 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-O 118.443 -0.789 . . . . 0.0 111.935 173.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -56.99 -42.44 80.27 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 119.837 1.199 . . . . 0.0 112.45 175.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.61 -24.0 66.4 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 173.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -88.57 -32.88 17.91 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.306 1.042 . . . . 0.0 113.082 170.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.7 mt -57.05 -35.17 69.01 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 121.447 1.93 . . . . 0.0 111.064 172.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -57.87 -21.45 43.02 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.163 1.385 . . . . 0.0 114.697 173.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 m -70.89 -21.97 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 120.34 1.427 . . . . 0.0 112.518 173.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -104.05 -37.98 7.13 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.861 1.664 . . . . 0.0 113.065 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.0 p -83.79 -10.14 58.29 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.557 1.318 . . . . 0.0 114.557 -175.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.33 80.24 2.41 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.598 1.159 . . . . 0.0 111.597 174.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.4 tp -143.96 131.08 20.63 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.299 1.839 . . . . 0.0 109.955 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 . . . . . 0 C--O 1.254 1.297 0 C-N-CA 125.819 1.648 . . . . 0.0 114.255 179.869 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -63.18 -19.66 64.7 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 -171.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -78.22 -8.6 58.52 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.904 1.282 . . . . 0.0 114.045 175.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.63 -171.47 36.66 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 125.003 1.287 . . . . 0.0 114.811 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.7 t -62.86 146.27 53.15 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.864 0.865 . . . . 0.0 112.146 177.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 m 55.8 22.62 5.68 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.717 1.607 . . . . 0.0 114.855 -170.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.04 -27.7 73.53 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.372 0.987 . . . . 0.0 113.941 176.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.3 mm -88.27 125.31 41.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 124.709 1.204 . . . . 0.0 108.624 169.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.6 mt -80.38 152.67 28.76 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -171.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.5 mt -80.57 152.47 28.59 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.109 1.363 . . . . 0.0 108.094 166.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -125.85 151.15 47.23 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.8 t -64.11 130.94 94.82 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 124.765 1.226 . . . . 0.0 111.407 172.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -82.8 -7.41 11.4 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 124.13 3.22 . . . . 0.0 113.409 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.4 m -74.06 140.58 45.45 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.836 0.854 . . . . 0.0 111.852 -171.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -64.87 139.88 58.81 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.285 -0.884 . . . . 0.0 112.298 176.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.15 -5.61 25.75 Favored Glycine 0 CA--C 1.544 1.866 0 C-N-CA 124.581 1.086 . . . . 0.0 115.592 -174.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.7 t -95.36 152.9 17.98 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.917 1.687 . . . . 0.0 111.378 176.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -141.68 16.15 2.16 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.103 1.361 . . . . 0.0 112.801 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -63.15 144.73 56.66 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.605 1.162 . . . . 0.0 112.672 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.7 p -143.79 149.38 36.97 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.109 1.364 . . . . 0.0 113.128 178.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.6 t -159.24 148.04 14.14 Favored Pre-proline 0 N--CA 1.478 0.962 0 C-N-CA 125.293 1.437 . . . . 0.0 111.357 -176.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -78.08 -6.64 15.92 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.296 1.997 . . . . 0.0 113.759 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -115.45 131.5 56.91 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.418 1.087 . . . . 0.0 113.593 -171.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -69.45 -24.59 63.83 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -86.53 -35.26 19.64 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.316 0.962 . . . . 0.0 111.325 176.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -61.78 -35.75 79.07 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 118.836 0.744 . . . . 0.0 111.343 169.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 55.3 tp -66.2 -48.69 69.82 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.334 0.654 . . . . 0.0 111.914 173.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -57.16 -41.24 78.84 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 118.881 0.764 . . . . 0.0 112.741 176.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.61 -28.51 69.67 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.219 1.008 . . . . 0.0 113.358 172.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -79.07 -31.15 44.32 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.208 -0.933 . . . . 0.0 112.859 170.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.8 mt -56.88 -27.53 60.63 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.935 1.698 . . . . 0.0 112.022 173.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -62.97 -30.09 71.31 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.727 1.211 . . . . 0.0 113.404 175.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.8 m -62.8 -26.61 41.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 119.907 1.231 . . . . 0.0 112.389 -175.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -84.66 4.98 29.94 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.625 1.57 . . . . 0.0 113.751 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.3 t -138.15 -35.92 0.61 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.894 1.277 . . . . 0.0 113.337 174.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.01 -16.62 60.61 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -178.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 75.1 mt -98.68 4.29 47.87 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.142 1.377 . . . . 0.0 113.67 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.254 1.302 0 C-N-CA 125.278 1.431 . . . . 0.0 113.829 178.539 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.587 0 N-CA-C 111.416 -0.674 . . . . 0.0 111.416 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -62.63 -20.91 65.25 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -171.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.4 m -77.29 -9.75 59.01 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.878 1.271 . . . . 0.0 114.06 176.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.36 160.04 53.97 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.586 1.089 . . . . 0.0 114.477 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.8 m -69.57 157.75 36.6 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.888 1.275 . . . . 0.0 113.202 178.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 t -140.51 156.53 46.3 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.178 1.391 . . . . 0.0 111.866 177.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.02 -163.75 37.41 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 125.302 1.429 . . . . 0.0 112.839 -176.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 32.8 pt -84.12 57.18 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-O 123.139 1.447 . . . . 0.0 113.028 -179.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.47 142.2 42.97 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.476 1.511 . . . . 0.0 112.097 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.9 mt -106.78 153.07 23.0 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.157 2.183 . . . . 0.0 108.497 168.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -127.33 150.82 49.42 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.367 1.067 . . . . 0.0 113.653 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.6 t -64.25 131.87 95.15 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 125.458 1.503 . . . . 0.0 111.42 173.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -83.05 -7.08 11.22 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 124.063 3.175 . . . . 0.0 113.568 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.2 m -74.66 140.65 44.38 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.695 0.798 . . . . 0.0 112.237 -170.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -61.42 133.89 56.28 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.462 -0.774 . . . . 0.0 112.165 177.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.13 -3.43 52.23 Favored Glycine 0 CA--C 1.542 1.721 0 C-N-CA 124.646 1.117 . . . . 0.0 115.488 -176.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.7 t -98.68 151.72 20.42 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.863 1.665 . . . . 0.0 111.089 176.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -141.47 10.73 2.08 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.929 1.292 . . . . 0.0 113.315 -178.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -56.33 141.73 40.63 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.053 1.341 . . . . 0.0 112.298 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.8 p -139.88 151.61 45.78 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 176.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 t -159.44 148.46 14.23 Favored Pre-proline 0 N--CA 1.475 0.819 0 C-N-CA 125.692 1.597 . . . . 0.0 110.795 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -75.99 -11.78 19.69 Favored 'Trans proline' 0 CA--C 1.546 1.08 0 C-N-CA 122.435 2.09 . . . . 0.0 113.117 172.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -102.35 120.19 40.08 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.893 1.277 . . . . 0.0 112.611 -174.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -62.04 -33.76 74.97 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 121.285 -0.884 . . . . 0.0 113.348 177.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -69.62 -41.7 75.31 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.688 0.795 . . . . 0.0 111.782 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -63.12 -38.5 91.44 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.091 1.357 . . . . 0.0 111.718 171.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.3 tp -65.27 -46.47 80.36 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 118.952 -0.547 . . . . 0.0 111.975 174.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -57.61 -42.4 83.2 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.233 0.924 . . . . 0.0 111.93 174.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.48 -26.98 68.17 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 173.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -78.21 -31.41 49.39 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 120.949 -1.094 . . . . 0.0 112.664 170.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.2 mt -56.32 -28.18 58.06 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 120.948 1.704 . . . . 0.0 111.968 173.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -63.07 -27.69 69.57 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.571 1.548 . . . . 0.0 113.754 174.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.3 m -65.3 -22.78 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 CA-C-N 119.956 1.253 . . . . 0.0 112.357 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -90.37 -0.5 57.67 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.177 1.391 . . . . 0.0 113.565 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.8 p -129.72 -34.4 1.76 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.972 1.309 . . . . 0.0 113.963 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.62 -17.28 19.59 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 -175.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.0 tp -110.5 54.16 0.68 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.474 1.509 . . . . 0.0 111.08 -178.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.5 t70 . . . . . 0 C--O 1.251 1.181 0 C-N-CA 126.552 1.941 . . . . 0.0 112.72 -178.28 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.58 0 N-CA-C 111.763 -0.535 . . . . 0.0 111.763 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.8 p -76.99 158.65 30.49 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.767 1.227 . . . . 0.0 113.298 178.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.7 m -71.41 153.39 42.32 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.832 1.253 . . . . 0.0 113.42 -177.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.57 -1.47 58.13 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 124.802 1.192 . . . . 0.0 115.453 177.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.7 p -62.35 -13.96 34.68 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.626 1.57 . . . . 0.0 114.805 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.6 m -64.81 -23.28 67.19 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.453 1.101 . . . . 0.0 113.595 170.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.43 138.5 2.55 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 124.566 1.079 . . . . 0.0 113.835 173.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.2 pt -137.52 155.43 31.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 126.358 1.863 . . . . 0.0 110.926 175.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.89 136.14 46.81 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.516 0.727 . . . . 0.0 110.777 174.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.0 mt -113.33 129.77 56.44 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.973 1.709 . . . . 0.0 109.509 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt -95.3 146.15 24.58 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.019 1.327 . . . . 0.0 113.501 -174.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.2 t -65.61 134.13 95.34 Favored Pre-proline 0 CA--C 1.554 1.104 0 C-N-CA 125.452 1.501 . . . . 0.0 111.292 169.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -67.62 -23.58 42.67 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 123.412 2.742 . . . . 0.0 114.676 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.9 m -70.12 132.53 45.97 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.937 0.895 . . . . 0.0 112.264 -171.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -65.65 132.94 50.03 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.669 0.788 . . . . 0.0 112.066 178.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.12 -0.48 58.82 Favored Glycine 0 CA--C 1.54 1.651 0 N-CA-C 115.749 1.06 . . . . 0.0 115.749 -178.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.5 t -79.03 -48.63 14.07 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.885 1.342 . . . . 0.0 112.357 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . 0.28 2.0 p30 51.4 9.06 0.06 Allowed 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 129.711 3.205 . . . . 0.0 117.427 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -56.81 142.14 41.91 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.544 1.537 . . . . 0.0 112.604 177.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 p -143.94 154.39 43.26 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 169.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 t -151.73 149.24 23.43 Favored Pre-proline 0 N--CA 1.472 0.656 0 C-N-CA 126.221 1.809 . . . . 0.0 110.338 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -76.38 -3.61 14.03 Favored 'Trans proline' 0 CA--C 1.544 0.975 0 C-N-CA 122.832 2.355 . . . . 0.0 114.238 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -116.09 130.58 56.87 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.498 1.119 . . . . 0.0 112.942 -175.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -69.17 -23.86 63.99 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 -178.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -87.05 -34.05 19.32 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.129 0.971 . . . . 0.0 111.477 176.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -62.83 -36.06 81.98 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 118.861 0.755 . . . . 0.0 111.599 169.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.1 tp -67.02 -45.29 77.96 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.29 0.496 . . . . 0.0 111.676 173.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -59.07 -42.16 89.72 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.138 0.881 . . . . 0.0 112.561 175.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.65 -29.19 69.91 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.041 0.936 . . . . 0.0 113.093 171.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -77.63 -34.76 53.19 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.657 0.783 . . . . 0.0 112.88 170.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 68.7 mt -56.7 -33.35 66.37 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.745 1.611 . . . . 0.0 112.185 176.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -60.25 -23.24 63.94 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.661 1.184 . . . . 0.0 113.874 174.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.08 -23.86 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.053 0.941 . . . . 0.0 112.305 176.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -91.53 -20.72 21.4 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.823 1.249 . . . . 0.0 113.385 178.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.7 p -92.92 -28.7 16.3 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.266 1.026 . . . . 0.0 112.994 175.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.91 156.41 39.3 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.452 1.101 . . . . 0.0 112.673 172.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.1 mt -140.64 146.06 37.42 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.684 1.994 . . . . 0.0 109.744 177.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.251 1.139 0 C-N-CA 126.663 1.985 . . . . 0.0 112.688 178.888 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.577 0 N-CA-C 112.142 -0.383 . . . . 0.0 112.142 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.5 m -135.25 155.25 50.96 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.428 1.491 . . . . 0.0 112.15 -176.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t -72.5 154.21 40.95 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.932 0.893 . . . . 0.0 112.378 176.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.24 175.11 47.27 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 125.063 1.316 . . . . 0.0 113.45 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 m -73.38 142.53 46.98 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.515 1.126 . . . . 0.0 112.847 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -140.8 152.15 44.96 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.649 1.58 . . . . 0.0 111.842 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.02 17.37 73.61 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.124 0.869 . . . . 0.0 115.099 178.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.8 mm -72.7 139.3 19.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.264 1.425 . . . . 0.0 110.592 -176.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.57 130.36 42.92 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.958 1.303 . . . . 0.0 111.779 -178.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.2 mt -89.85 150.08 22.38 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.141 1.776 . . . . 0.0 108.395 168.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -126.72 147.38 49.97 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.152 0.981 . . . . 0.0 112.664 -172.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.9 t -67.98 132.17 92.18 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 124.331 1.052 . . . . 0.0 111.178 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -80.19 -8.84 14.09 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.99 3.127 . . . . 0.0 113.888 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.1 m -74.16 129.73 38.4 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.793 0.837 . . . . 0.0 111.101 -177.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.83 -31.2 71.66 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -172.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.56 3.43 82.53 Favored Glycine 0 CA--C 1.539 1.565 0 C-N-CA 125.037 1.303 . . . . 0.0 115.28 174.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.5 t -108.99 160.07 16.31 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.192 1.797 . . . . 0.0 112.319 -174.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -132.45 4.35 3.97 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.264 1.826 . . . . 0.0 113.011 -177.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -72.63 141.16 48.32 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.581 1.152 . . . . 0.0 113.801 -172.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.1 p -145.06 153.7 41.72 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.437 1.495 . . . . 0.0 112.542 171.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -160.18 148.41 13.25 Favored Pre-proline 0 N--CA 1.477 0.908 0 C-N-CA 125.209 1.404 . . . . 0.0 111.408 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -75.81 -7.89 18.74 Favored 'Trans proline' 0 CA--C 1.547 1.135 0 C-N-CA 122.412 2.075 . . . . 0.0 113.3 173.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -108.21 121.12 44.21 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.608 1.163 . . . . 0.0 113.108 -172.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -64.28 -24.54 67.7 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 176.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -84.93 -26.49 27.2 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.468 -0.77 . . . . 0.0 112.472 177.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -73.87 -40.32 63.32 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.645 -0.659 . . . . 0.0 110.441 169.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.6 tp -64.66 -49.24 71.77 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 118.573 -0.727 . . . . 0.0 112.379 176.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -60.88 -33.06 72.52 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.775 1.17 . . . . 0.0 112.508 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.84 -28.48 61.62 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 175.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -76.84 -31.63 57.01 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.447 1.099 . . . . 0.0 112.841 171.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.0 mt -55.22 -31.46 61.49 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 121.064 1.756 . . . . 0.0 112.159 175.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -66.08 -24.72 66.76 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.398 1.479 . . . . 0.0 113.89 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.3 m -63.53 -26.84 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 120.012 1.278 . . . . 0.0 112.262 -178.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -82.52 1.07 39.63 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.66 1.584 . . . . 0.0 113.872 -177.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.3 p -77.95 -10.14 59.44 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.044 0.937 . . . . 0.0 112.845 169.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.16 -175.72 4.43 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.705 2.002 . . . . 0.0 111.586 -178.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.9 mt 62.72 10.13 4.01 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 126.716 2.006 . . . . 0.0 116.134 174.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.8 t70 . . . . . 0 C--O 1.252 1.195 0 C-N-CA 126.523 1.929 . . . . 0.0 112.419 177.379 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 CA--C 1.539 0.548 0 CA-C-O 121.529 0.68 . . . . 0.0 111.918 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.1 mt -103.87 147.19 27.61 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 127.062 2.145 . . . . 0.0 108.338 168.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -122.17 147.83 45.68 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.187 0.995 . . . . 0.0 112.569 -171.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.2 t -66.75 130.86 94.0 Favored Pre-proline 0 CA--C 1.552 1.04 0 C-N-CA 124.216 1.006 . . . . 0.0 111.219 174.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -81.46 -7.34 12.75 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.938 3.092 . . . . 0.0 113.577 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.0 m -77.93 139.51 39.21 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.832 0.853 . . . . 0.0 112.259 -169.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -63.17 136.61 57.85 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.683 0.793 . . . . 0.0 112.085 177.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.55 -5.61 36.21 Favored Glycine 0 CA--C 1.54 1.653 0 C-N-CA 124.695 1.14 . . . . 0.0 115.676 -177.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.9 t -84.41 156.98 21.55 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.267 1.427 . . . . 0.0 111.667 174.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -135.17 6.69 3.35 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.926 1.69 . . . . 0.0 112.913 -175.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -72.54 140.56 48.21 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.633 1.173 . . . . 0.0 113.394 -174.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.9 p -145.37 154.43 42.29 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.893 1.277 . . . . 0.0 112.453 170.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.6 t -158.32 147.97 15.12 Favored Pre-proline 0 N--CA 1.476 0.861 0 C-N-CA 125.158 1.383 . . . . 0.0 111.407 -177.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -76.15 -5.8 16.62 Favored 'Trans proline' 0 CA--C 1.546 1.099 0 C-N-CA 122.563 2.175 . . . . 0.0 113.763 175.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -112.35 128.9 56.42 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.263 1.025 . . . . 0.0 113.523 -174.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.0 ptmt -64.94 -32.96 74.93 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -82.55 -33.26 28.22 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.065 0.946 . . . . 0.0 111.556 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -63.06 -37.45 87.26 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.668 0.667 . . . . 0.0 111.083 168.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.8 tp -65.48 -46.69 78.79 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 118.872 -0.585 . . . . 0.0 111.99 173.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -57.83 -42.81 85.12 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.411 1.005 . . . . 0.0 112.089 174.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.05 -26.73 68.98 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 173.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -79.57 -34.81 40.57 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.72 0.808 . . . . 0.0 112.833 170.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 42.7 mt -58.23 -33.08 68.95 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 120.761 1.619 . . . . 0.0 111.982 175.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -58.93 -22.59 60.17 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.779 1.232 . . . . 0.0 113.868 173.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.93 -20.8 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.404 1.082 . . . . 0.0 112.641 174.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 . . . . . 0 CA--C 1.539 0.545 0 C-N-CA 125.312 1.445 . . . . 0.0 112.635 177.88 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 CA--C 1.538 0.514 0 CA-C-O 121.156 0.503 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.9 mt -93.09 151.65 19.74 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.756 1.622 . . . . 0.0 108.599 168.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -128.39 150.32 50.16 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.186 0.994 . . . . 0.0 113.379 -177.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.3 t -69.96 133.21 88.15 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 125.255 1.422 . . . . 0.0 111.621 174.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -86.35 -13.69 5.11 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 124.037 3.158 . . . . 0.0 114.022 -176.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 37.8 m -71.23 142.0 50.6 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.078 0.951 . . . . 0.0 112.229 -171.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -64.58 141.59 58.72 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.373 -0.829 . . . . 0.0 112.72 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.93 -6.68 25.56 Favored Glycine 0 CA--C 1.541 1.695 0 C-N-CA 124.504 1.05 . . . . 0.0 115.408 -174.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.8 t -97.39 153.56 18.01 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.073 1.749 . . . . 0.0 111.329 175.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -142.68 12.15 1.88 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.08 1.352 . . . . 0.0 113.144 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -56.8 143.91 35.09 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.862 1.265 . . . . 0.0 112.609 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 93.9 p -142.46 151.22 41.51 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.473 1.109 . . . . 0.0 113.313 176.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.7 t -160.74 148.66 12.71 Favored Pre-proline 0 N--CA 1.476 0.853 0 C-N-CA 125.032 1.333 . . . . 0.0 111.802 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -77.33 -9.54 17.58 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 122.51 2.14 . . . . 0.0 113.69 175.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -111.22 129.88 55.82 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.487 1.04 . . . . 0.0 113.258 -173.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -65.31 -32.75 74.57 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -77.59 -32.26 53.55 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.025 0.83 . . . . 0.0 111.753 178.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -64.25 -39.45 93.98 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.155 0.582 . . . . 0.0 111.083 169.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 42.8 tp -66.17 -44.47 83.94 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 118.782 -0.628 . . . . 0.0 111.845 174.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -57.79 -43.42 85.62 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.596 1.089 . . . . 0.0 112.036 173.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.19 -28.19 69.5 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 173.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -79.99 -36.59 35.76 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.62 0.768 . . . . 0.0 113.047 171.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.09 -32.69 70.03 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 120.233 -1.542 . . . . 0.0 111.847 176.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.34 -17.1 57.99 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 173.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.3 -25.44 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.992 0.917 . . . . 0.0 112.108 172.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 . . . . . 0 CA--C 1.539 0.555 0 C-N-CA 125.012 1.325 . . . . 0.0 113.501 -178.647 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 CA--C 1.539 0.543 0 CA-C-O 121.608 0.718 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.2 mt -81.09 152.3 27.91 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.289 1.435 . . . . 0.0 109.005 168.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -130.4 146.7 52.01 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.33 1.052 . . . . 0.0 112.348 -173.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.2 t -70.53 129.38 90.19 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 124.293 1.037 . . . . 0.0 110.575 172.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -85.0 -5.86 9.58 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 124.025 3.15 . . . . 0.0 113.476 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.1 m -74.15 140.39 45.15 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.96 0.904 . . . . 0.0 112.377 -169.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -62.0 134.22 56.35 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.445 -0.785 . . . . 0.0 112.235 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.28 -5.42 43.21 Favored Glycine 0 CA--C 1.54 1.638 0 C-N-CA 124.696 1.141 . . . . 0.0 115.601 -176.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.3 t -86.66 156.42 20.0 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.211 1.404 . . . . 0.0 111.659 174.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -138.2 9.12 2.73 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.843 1.657 . . . . 0.0 112.817 -175.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -72.61 139.76 47.6 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.678 1.191 . . . . 0.0 113.298 -174.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.6 p -145.05 153.47 41.49 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.47 1.508 . . . . 0.0 112.491 172.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 t -160.31 148.2 12.92 Favored Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 124.683 1.193 . . . . 0.0 111.933 -177.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -75.42 -7.99 19.22 Favored 'Trans proline' 0 CA--C 1.544 1.006 0 C-N-CA 122.569 2.179 . . . . 0.0 113.841 174.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -113.25 131.83 55.76 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -172.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.91 -42.65 99.33 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.622 1.169 . . . . 0.0 113.206 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -76.6 -32.52 58.13 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.832 0.853 . . . . 0.0 111.744 -177.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -63.69 -38.37 90.87 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 118.691 0.678 . . . . 0.0 111.376 169.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.6 tp -66.18 -45.07 82.15 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 118.784 -0.627 . . . . 0.0 111.861 173.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -56.08 -43.18 77.75 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.614 1.097 . . . . 0.0 112.278 173.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.39 -20.5 66.41 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 174.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -88.74 -40.32 13.31 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.975 0.91 . . . . 0.0 112.494 169.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.2 mt -57.83 -34.95 70.24 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.556 -1.34 . . . . 0.0 112.538 -177.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -59.38 -22.62 61.64 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 174.085 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.5 -23.49 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.311 1.045 . . . . 0.0 112.35 175.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 . . . . . 0 CA--C 1.546 0.818 0 C-N-CA 125.394 1.478 . . . . 0.0 113.825 178.935 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 CA--C 1.541 0.633 0 CA-C-O 121.313 0.578 . . . . 0.0 111.425 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.1 mt -76.39 152.93 36.11 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.205 1.002 . . . . 0.0 108.892 167.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -124.05 150.22 45.21 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 177.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.5 t -65.0 133.4 95.76 Favored Pre-proline 0 CA--C 1.553 1.079 0 C-N-CA 125.544 1.538 . . . . 0.0 111.773 172.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -84.65 -13.83 6.84 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 124.025 3.15 . . . . 0.0 114.122 -176.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.2 m -70.99 140.98 51.01 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.871 0.869 . . . . 0.0 112.388 -171.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -60.83 134.38 57.03 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.731 0.813 . . . . 0.0 112.339 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.12 -6.01 45.66 Favored Glycine 0 CA--C 1.541 1.678 0 C-N-CA 124.777 1.179 . . . . 0.0 115.484 -176.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.7 t -93.14 148.5 21.97 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.455 1.502 . . . . 0.0 111.11 174.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -141.07 20.0 2.28 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.14 1.376 . . . . 0.0 112.524 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -60.58 141.94 56.05 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.416 1.086 . . . . 0.0 111.745 175.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.0 p -139.55 152.41 46.87 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.389 1.076 . . . . 0.0 113.514 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -161.32 147.89 11.45 Favored Pre-proline 0 N--CA 1.475 0.808 0 C-N-CA 124.993 1.317 . . . . 0.0 111.142 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -78.57 -7.27 15.75 Favored 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 122.372 2.048 . . . . 0.0 114.025 177.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -114.01 130.95 56.51 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.695 1.134 . . . . 0.0 113.259 -175.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -31.81 73.17 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 177.426 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -74.07 -36.61 64.33 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.489 1.04 . . . . 0.0 111.597 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.67 -33.58 76.22 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.517 0.727 . . . . 0.0 111.503 172.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 45.9 tp -69.96 -46.57 64.95 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 118.968 -0.539 . . . . 0.0 111.727 173.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -55.7 -43.84 76.84 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 118.956 0.798 . . . . 0.0 112.142 174.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.47 -29.17 68.88 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.0 0.92 . . . . 0.0 113.447 173.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -80.82 -33.72 34.49 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 118.92 0.782 . . . . 0.0 112.891 171.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 76.6 mt -57.99 -33.7 69.18 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 120.667 1.576 . . . . 0.0 111.693 175.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -60.09 -21.82 61.99 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 173.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.17 -24.53 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 119.24 0.927 . . . . 0.0 112.016 173.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 . . . . . 0 CA--C 1.541 0.605 0 C-N-CA 125.242 1.417 . . . . 0.0 112.699 177.579 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.4 mt . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.0 mt -82.67 148.29 28.01 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.216 1.406 . . . . 0.0 108.579 167.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -115.98 148.98 39.53 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.621 1.169 . . . . 0.0 112.117 -178.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.4 t -68.46 132.73 91.19 Favored Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 124.482 1.113 . . . . 0.0 111.596 172.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -82.95 -14.64 8.57 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 123.838 3.025 . . . . 0.0 113.931 -177.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.5 m -72.06 140.44 48.97 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.972 0.909 . . . . 0.0 112.41 -172.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -63.26 137.2 58.12 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.879 0.872 . . . . 0.0 112.57 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.37 -6.19 38.99 Favored Glycine 0 CA--C 1.541 1.687 0 C-N-CA 124.832 1.206 . . . . 0.0 115.676 -177.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.3 t -84.85 151.73 24.1 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.31 1.444 . . . . 0.0 111.56 175.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -130.99 8.73 4.81 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.973 1.709 . . . . 0.0 113.642 -177.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -68.73 141.03 55.38 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.682 1.193 . . . . 0.0 113.158 -176.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.4 p -145.08 150.53 36.99 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.164 1.386 . . . . 0.0 112.429 172.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -158.77 147.79 14.48 Favored Pre-proline 0 N--CA 1.476 0.871 0 C-N-CA 124.979 1.311 . . . . 0.0 111.58 -175.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -78.13 -8.64 16.51 Favored 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 122.302 2.001 . . . . 0.0 113.757 177.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -113.06 129.71 56.41 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.24 1.016 . . . . 0.0 113.118 -172.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -65.57 -31.8 73.04 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -77.29 -34.5 55.54 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.91 0.777 . . . . 0.0 111.407 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.4 -38.83 92.41 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.156 0.582 . . . . 0.0 111.074 170.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.6 tp -64.66 -47.26 79.12 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 118.726 -0.654 . . . . 0.0 111.857 174.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -57.42 -43.56 83.88 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.563 1.074 . . . . 0.0 112.175 175.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.91 -27.99 69.2 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 173.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -80.18 -34.97 37.06 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.634 0.774 . . . . 0.0 113.075 171.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.5 mt -58.51 -34.03 70.5 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 120.764 1.62 . . . . 0.0 111.616 175.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.48 -11.56 24.72 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.03 1.332 . . . . 0.0 114.425 174.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -76.41 -24.24 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.143 0.977 . . . . 0.0 112.292 171.167 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 . . . . . 0 CA--C 1.543 0.686 0 C-N-CA 125.239 1.416 . . . . 0.0 113.773 -177.418 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 CA--C 1.538 0.484 0 CA-C-O 121.338 0.589 . . . . 0.0 111.853 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.9 mt -97.36 147.66 23.95 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.298 1.839 . . . . 0.0 108.407 168.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -125.32 147.1 49.27 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.253 1.021 . . . . 0.0 112.491 -173.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 19.0 t -69.57 128.22 92.26 Favored Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 124.453 1.101 . . . . 0.0 110.989 175.176 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 28.9 Cg_exo -71.98 -18.81 27.42 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.281 2.654 . . . . 0.0 114.578 -178.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.9 m -66.92 129.4 39.78 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.133 0.973 . . . . 0.0 111.554 -173.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.0 -31.9 72.78 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -170.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.16 -1.85 90.19 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 124.702 1.144 . . . . 0.0 115.224 175.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.1 t -95.48 170.05 9.62 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.784 1.633 . . . . 0.0 112.878 -174.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -141.17 4.54 1.84 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.293 1.837 . . . . 0.0 112.792 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -76.32 140.12 41.35 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.331 1.052 . . . . 0.0 113.719 -171.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.0 p -145.26 154.17 42.08 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.347 1.459 . . . . 0.0 112.202 170.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.2 t -158.94 149.15 15.44 Favored Pre-proline 0 N--CA 1.477 0.911 0 C-N-CA 124.818 1.247 . . . . 0.0 111.854 -176.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.75 -8.56 19.28 Favored 'Trans proline' 0 CA--C 1.546 1.087 0 C-N-CA 122.628 2.218 . . . . 0.0 113.566 172.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -111.18 121.31 44.96 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.506 1.123 . . . . 0.0 112.942 -171.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -62.6 -26.09 68.43 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 176.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -85.37 -31.68 22.82 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.852 0.861 . . . . 0.0 111.967 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -67.96 -35.75 78.92 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.416 0.553 . . . . 0.0 111.149 169.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.5 tp -64.23 -47.02 81.27 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.123 0.569 . . . . 0.0 111.905 172.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -56.64 -43.91 80.76 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 119.009 0.822 . . . . 0.0 112.399 173.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.33 -19.31 65.9 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 174.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -90.88 -38.49 12.88 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.788 1.235 . . . . 0.0 112.712 171.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 76.4 mt -59.05 -27.93 65.97 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.386 -1.446 . . . . 0.0 113.297 -175.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.1 pttm -62.12 -19.37 62.94 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.961 1.304 . . . . 0.0 114.258 173.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -24.66 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.897 1.279 . . . . 0.0 112.558 -177.444 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 . . . . . 0 CA--C 1.541 0.611 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 -173.053 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 CA--C 1.539 0.539 0 CA-C-O 120.931 0.396 . . . . 0.0 111.425 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.0 mt -94.18 138.68 31.93 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.809 1.644 . . . . 0.0 108.488 168.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -108.57 146.74 32.84 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.422 1.089 . . . . 0.0 111.868 -175.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.1 t -67.62 130.12 93.24 Favored Pre-proline 0 CA--C 1.552 1.048 0 C-N-CA 124.074 0.949 . . . . 0.0 110.64 169.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -83.07 -6.25 11.24 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 C-N-CA 123.95 3.1 . . . . 0.0 113.563 -178.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.0 m -75.38 139.67 42.52 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.689 0.796 . . . . 0.0 112.153 -169.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -62.38 134.13 56.03 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.563 0.745 . . . . 0.0 112.176 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.28 -4.86 46.57 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 124.677 1.132 . . . . 0.0 115.658 -177.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.9 t -84.28 157.57 21.5 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.022 1.329 . . . . 0.0 111.728 174.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -136.81 6.99 2.95 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.881 1.672 . . . . 0.0 112.826 -176.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -73.06 141.21 47.6 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.575 1.15 . . . . 0.0 113.377 -174.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.6 p -145.63 154.09 41.75 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.581 1.152 . . . . 0.0 112.668 169.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.3 t -158.14 147.58 14.97 Favored Pre-proline 0 N--CA 1.476 0.832 0 C-N-CA 125.158 1.383 . . . . 0.0 111.303 -178.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -76.34 -5.35 16.09 Favored 'Trans proline' 0 CA--C 1.544 1.019 0 C-N-CA 122.539 2.159 . . . . 0.0 114.152 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -115.3 131.89 56.79 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.65 1.114 . . . . 0.0 113.622 -174.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -54.73 -44.83 73.89 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.431 1.492 . . . . 0.0 112.99 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -81.12 -28.41 35.15 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.357 0.663 . . . . 0.0 111.815 -173.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.85 -37.05 85.16 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.767 -0.583 . . . . 0.0 110.745 168.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.8 tp -66.56 -45.53 79.04 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.868 -0.587 . . . . 0.0 111.648 173.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -57.3 -41.58 80.13 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.45 1.023 . . . . 0.0 112.43 174.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.46 -18.7 65.52 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 173.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -89.7 -37.92 14.23 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.201 1.001 . . . . 0.0 112.422 169.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.2 mt -56.04 -35.87 67.37 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 120.472 1.487 . . . . 0.0 112.532 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -61.07 -21.72 63.92 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.66 1.355 . . . . 0.0 114.66 175.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.15 -23.69 33.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.159 0.984 . . . . 0.0 112.339 175.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 . . . . . 0 CA--C 1.543 0.688 0 C-N-CA 124.95 1.3 . . . . 0.0 113.726 179.224 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 CA--C 1.539 0.546 0 CA-C-O 121.278 0.561 . . . . 0.0 111.849 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.5 mt -95.0 150.81 19.76 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.333 1.853 . . . . 0.0 108.299 168.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -127.78 151.83 48.53 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.626 0.972 . . . . 0.0 113.626 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.9 t -69.19 135.34 89.18 Favored Pre-proline 0 CA--C 1.554 1.114 0 C-N-CA 125.52 1.528 . . . . 0.0 111.453 174.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -82.29 -13.79 9.79 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 124.002 3.134 . . . . 0.0 114.07 -175.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 95.1 m -68.11 133.77 49.48 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.027 0.931 . . . . 0.0 111.655 -175.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -66.4 -32.26 73.54 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -172.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.99 4.57 74.97 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 125.057 1.313 . . . . 0.0 115.227 174.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.4 t -117.72 158.48 24.64 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.55 1.94 . . . . 0.0 112.001 -172.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -144.1 16.91 1.74 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.283 1.433 . . . . 0.0 112.614 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -62.92 143.05 58.04 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.193 0.997 . . . . 0.0 112.317 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.1 p -143.7 151.57 40.22 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.593 1.157 . . . . 0.0 113.15 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 t -160.37 148.41 13.01 Favored Pre-proline 0 N--CA 1.475 0.824 0 C-N-CA 125.252 1.421 . . . . 0.0 111.1 179.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -78.26 -7.2 16.03 Favored 'Trans proline' 0 CA--C 1.544 0.986 0 C-N-CA 122.299 1.999 . . . . 0.0 113.214 172.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -104.59 125.95 51.22 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.467 1.107 . . . . 0.0 113.199 -173.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -69.41 -20.18 63.8 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -91.86 -34.17 14.64 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.33 1.052 . . . . 0.0 111.906 176.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.82 -37.31 81.57 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.172 0.896 . . . . 0.0 111.562 170.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.3 tp -65.68 -44.54 85.91 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 122.881 0.473 . . . . 0.0 112.179 173.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -62.83 -32.38 73.58 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.93 -36.16 75.1 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.414 1.085 . . . . 0.0 112.562 169.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -73.22 -37.28 66.46 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.458 -0.776 . . . . 0.0 112.993 175.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 79.5 mt -56.26 -31.22 63.38 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 120.058 1.299 . . . . 0.0 112.786 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -65.45 -22.67 66.78 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.722 1.209 . . . . 0.0 113.502 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.93 -26.15 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.161 0.985 . . . . 0.0 112.151 177.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 . . . . . 0 CA--C 1.545 0.763 0 C-N-CA 125.093 1.357 . . . . 0.0 114.006 178.788 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 CA--C 1.539 0.546 0 CA-C-O 121.798 0.808 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.0 mt -80.94 153.4 27.55 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.664 1.585 . . . . 0.0 109.14 168.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -126.06 151.35 47.27 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.224 1.01 . . . . 0.0 113.35 177.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.3 t -68.78 133.36 90.43 Favored Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 125.439 1.496 . . . . 0.0 111.267 173.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -84.91 -8.17 9.19 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 124.222 3.281 . . . . 0.0 114.052 -176.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.0 m -71.61 133.77 45.94 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.802 0.841 . . . . 0.0 111.185 -175.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -70.59 -24.62 62.79 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.536 1.31 . . . . 0.0 114.536 -170.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.96 8.49 76.05 Favored Glycine 0 CA--C 1.539 1.59 0 C-N-CA 125.077 1.323 . . . . 0.0 114.808 172.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.2 t -128.9 158.04 39.9 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.788 2.035 . . . . 0.0 112.033 -169.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -145.26 16.22 1.51 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.456 1.503 . . . . 0.0 112.855 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -62.26 144.38 55.66 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.741 1.216 . . . . 0.0 112.733 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.6 p -141.52 151.27 43.13 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.089 1.356 . . . . 0.0 112.998 175.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 t -160.04 147.71 12.9 Favored Pre-proline 0 N--CA 1.476 0.85 0 C-N-CA 124.71 1.204 . . . . 0.0 111.964 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -76.33 -7.42 17.94 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 122.626 2.217 . . . . 0.0 113.684 173.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -114.79 129.85 56.76 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.387 1.075 . . . . 0.0 113.439 -172.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -68.87 -30.89 69.49 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -78.28 -35.23 48.28 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.976 0.807 . . . . 0.0 111.195 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.93 -38.16 89.91 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 118.486 0.585 . . . . 0.0 111.231 169.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 45.9 tp -65.38 -45.59 83.46 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 118.596 -0.716 . . . . 0.0 111.846 173.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -56.11 -43.88 78.56 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 120.021 1.282 . . . . 0.0 112.454 174.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.85 -15.44 61.87 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 173.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -97.9 -30.0 12.99 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.551 1.54 . . . . 0.0 113.27 169.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.53 -34.61 78.66 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 119.672 -1.893 . . . . 0.0 112.008 176.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -60.98 -24.14 65.89 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 176.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.6 t -62.94 -31.46 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 126.252 1.821 . . . . 0.0 111.52 175.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 . . . . . 0 N--CA 1.469 0.524 0 C-N-CA 124.629 1.172 . . . . 0.0 113.954 -176.387 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 CA--C 1.538 0.495 0 CA-C-O 121.154 0.502 . . . . 0.0 111.956 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.6 mt -74.77 151.44 39.12 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.608 1.563 . . . . 0.0 109.079 168.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -133.43 145.52 50.35 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.827 0.851 . . . . 0.0 112.506 -168.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.0 t -70.62 129.43 90.02 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 124.175 0.99 . . . . 0.0 111.14 176.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -83.55 -6.36 10.81 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 124.191 3.261 . . . . 0.0 113.415 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.0 m -72.95 139.63 46.89 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.087 0.955 . . . . 0.0 112.055 -169.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -61.97 133.25 55.13 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.527 -0.733 . . . . 0.0 112.178 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.16 -4.45 47.55 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 124.681 1.134 . . . . 0.0 115.65 -177.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.5 t -85.51 157.19 20.49 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.187 1.395 . . . . 0.0 111.766 175.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -138.19 8.65 2.71 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.748 1.619 . . . . 0.0 112.834 -175.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -72.11 141.22 49.18 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.651 1.18 . . . . 0.0 113.478 -174.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.2 p -145.36 154.28 42.13 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.082 1.353 . . . . 0.0 112.818 172.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.8 t -159.4 148.12 14.01 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 124.877 1.271 . . . . 0.0 112.052 -176.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -76.26 -8.72 18.77 Favored 'Trans proline' 0 CA--C 1.545 1.062 0 C-N-CA 122.634 2.223 . . . . 0.0 113.835 174.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -111.58 128.61 56.09 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 119.635 1.107 . . . . 0.0 113.077 -174.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -55.39 -42.52 74.13 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.059 1.344 . . . . 0.0 112.783 174.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -77.37 -29.3 53.25 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 121.784 -0.572 . . . . 0.0 112.293 -174.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -64.85 -40.18 94.74 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.215 1.006 . . . . 0.0 110.745 169.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.9 tp -66.74 -42.79 85.68 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.001 0.52 . . . . 0.0 111.815 175.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -58.32 -44.43 88.64 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.138 0.881 . . . . 0.0 112.101 173.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.18 -31.3 72.41 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.742 0.817 . . . . 0.0 113.161 173.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -75.87 -38.62 57.74 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.324 -0.86 . . . . 0.0 112.848 173.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 84.2 mt -58.3 -32.24 68.26 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 120.304 1.411 . . . . 0.0 112.171 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.88 -22.7 65.77 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.593 1.157 . . . . 0.0 113.83 173.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -28.73 45.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 119.438 1.017 . . . . 0.0 111.989 176.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 . . . . . 0 CA--C 1.54 0.565 0 C-N-CA 124.543 1.137 . . . . 0.0 112.818 -179.669 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 mp . . . . . 0 CA--C 1.54 0.565 0 CA-C-O 121.49 0.662 . . . . 0.0 112.268 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.5 mt -82.01 152.77 26.52 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.438 1.495 . . . . 0.0 108.774 167.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -124.37 147.8 47.98 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.5 1.12 . . . . 0.0 112.452 -175.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.0 t -67.79 133.39 92.31 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 124.46 1.104 . . . . 0.0 111.6 176.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -79.82 -8.91 14.54 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 123.82 3.013 . . . . 0.0 113.888 -177.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.9 m -75.49 130.99 39.79 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.004 0.82 . . . . 0.0 111.316 -176.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.88 -32.74 74.21 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -171.013 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.28 0.29 89.05 Favored Glycine 0 CA--C 1.54 1.611 0 C-N-CA 124.732 1.158 . . . . 0.0 115.113 175.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.6 t -101.45 166.89 10.49 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.109 1.764 . . . . 0.0 112.681 -173.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -140.82 6.03 2.0 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.151 1.781 . . . . 0.0 112.903 -177.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -74.02 143.08 45.69 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.7 1.2 . . . . 0.0 113.734 -173.104 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.1 p -145.24 153.86 41.76 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.354 1.461 . . . . 0.0 112.472 171.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 t -159.39 147.8 13.76 Favored Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 124.799 1.24 . . . . 0.0 112.006 -178.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -75.47 -9.21 20.04 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 122.604 2.202 . . . . 0.0 114.131 175.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -112.64 125.14 53.97 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.94 1.245 . . . . 0.0 113.172 -175.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.437 ' H ' ' HD3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -55.23 -35.26 64.74 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.894 1.278 . . . . 0.0 113.35 171.379 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -71.24 -38.12 71.95 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.151 0.887 . . . . 0.0 112.066 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -38.33 86.73 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.725 1.21 . . . . 0.0 110.411 176.508 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.1 tp -64.95 -48.21 74.9 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.448 0.699 . . . . 0.0 111.81 174.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -57.98 -42.53 85.28 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.402 1.001 . . . . 0.0 112.049 175.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.89 -27.88 69.67 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 173.013 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -80.61 -34.07 35.4 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.222 1.009 . . . . 0.0 113.063 172.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.6 mt -58.29 -31.96 67.99 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 120.657 1.571 . . . . 0.0 112.138 176.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -56.64 -27.35 58.27 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.883 1.273 . . . . 0.0 113.502 172.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.98 -23.14 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 124.523 1.129 . . . . 0.0 112.511 177.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 . . . . . 0 CA--C 1.54 0.587 0 C-N-CA 125.039 1.336 . . . . 0.0 113.125 178.228 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 mp . . . . . 0 CA--C 1.538 0.489 0 CA-C-O 121.984 0.897 . . . . 0.0 112.687 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.7 mt -93.6 153.51 18.36 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 127.441 2.296 . . . . 0.0 108.912 168.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -123.75 147.46 47.48 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.414 1.086 . . . . 0.0 112.447 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.6 t -68.7 130.66 91.69 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 124.39 1.076 . . . . 0.0 110.692 171.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -84.15 -6.5 10.25 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 124.144 3.229 . . . . 0.0 113.674 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.3 m -75.58 138.89 41.76 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.776 0.83 . . . . 0.0 112.137 -169.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -62.63 134.0 55.7 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.551 0.74 . . . . 0.0 112.092 177.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.66 -5.84 43.5 Favored Glycine 0 CA--C 1.541 1.675 0 C-N-CA 124.683 1.135 . . . . 0.0 115.54 -176.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.8 t -91.11 151.74 20.88 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.47 1.508 . . . . 0.0 111.285 173.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -135.73 10.49 3.39 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.634 1.574 . . . . 0.0 112.926 -173.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -70.45 141.53 52.06 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.01 1.324 . . . . 0.0 113.23 -175.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.0 p -145.56 151.52 38.26 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.257 1.423 . . . . 0.0 112.646 173.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -160.54 146.43 11.43 Favored Pre-proline 0 N--CA 1.478 0.973 0 C-N-CA 124.705 1.202 . . . . 0.0 111.969 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -76.3 -9.02 18.89 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 122.828 2.352 . . . . 0.0 113.334 172.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -103.69 113.06 26.29 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.111 1.364 . . . . 0.0 112.35 -174.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -59.3 -35.33 73.59 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 121.225 -0.922 . . . . 0.0 113.42 178.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -71.7 -32.09 67.45 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.796 0.838 . . . . 0.0 112.498 178.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -73.22 -35.25 66.28 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.789 0.835 . . . . 0.0 111.47 172.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.0 tp -64.54 -45.31 87.7 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 118.918 -0.563 . . . . 0.0 111.712 170.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -55.08 -45.12 75.35 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.556 1.071 . . . . 0.0 112.318 173.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.15 -19.04 65.79 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 174.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -93.44 -31.24 14.68 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.547 1.539 . . . . 0.0 112.923 172.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.65 -36.21 82.1 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 119.884 -1.76 . . . . 0.0 111.874 177.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -61.79 -23.83 66.46 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.45 -27.31 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 125.563 1.545 . . . . 0.0 111.31 175.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 . . . . . 0 CA--C 1.544 0.718 0 C-N-CA 125.376 1.471 . . . . 0.0 114.36 -179.195 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.6 mp . . . . . 0 CA--C 1.539 0.525 0 CA-C-O 121.598 0.714 . . . . 0.0 112.154 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.2 mt -87.66 152.31 22.26 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.176 1.79 . . . . 0.0 108.548 168.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -126.04 152.47 45.75 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 176.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.5 t -67.86 132.99 92.21 Favored Pre-proline 0 CA--C 1.556 1.184 0 C-N-CA 125.467 1.507 . . . . 0.0 111.429 173.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -87.62 -12.33 4.53 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 124.139 3.226 . . . . 0.0 114.028 -176.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.9 m -69.77 142.76 53.16 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.928 0.891 . . . . 0.0 112.411 -171.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.62 134.46 57.09 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.681 0.793 . . . . 0.0 112.424 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.31 -3.53 52.83 Favored Glycine 0 CA--C 1.541 1.666 0 C-N-CA 124.644 1.116 . . . . 0.0 115.465 -176.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.9 t -100.21 147.42 25.74 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.927 1.691 . . . . 0.0 111.237 176.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -144.08 24.78 1.62 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.165 1.386 . . . . 0.0 112.457 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -60.1 142.63 53.87 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.339 1.056 . . . . 0.0 111.495 173.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.5 p -142.79 150.63 40.25 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.505 1.122 . . . . 0.0 113.541 178.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -161.54 148.05 11.27 Favored Pre-proline 0 N--CA 1.476 0.845 0 C-N-CA 125.147 1.379 . . . . 0.0 111.427 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -76.58 -6.94 17.44 Favored 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 122.642 2.228 . . . . 0.0 113.39 172.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -107.87 121.66 45.21 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.653 1.181 . . . . 0.0 112.691 -173.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -61.4 -26.51 67.9 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 176.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -85.2 -31.76 23.03 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.853 0.861 . . . . 0.0 112.176 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -68.5 -35.29 77.31 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 121.761 -0.587 . . . . 0.0 111.051 169.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.1 tp -65.41 -45.22 84.79 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 118.985 -0.531 . . . . 0.0 111.771 172.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -57.46 -43.88 84.36 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.279 0.945 . . . . 0.0 112.333 173.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.62 -20.47 65.7 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 173.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -90.23 -38.46 13.43 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.117 0.967 . . . . 0.0 112.637 169.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 71.6 mt -58.17 -35.39 71.51 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.389 -1.444 . . . . 0.0 112.407 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -59.32 -22.19 60.88 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 173.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.75 -23.24 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 124.141 0.977 . . . . 0.0 112.098 173.033 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 . . . . . 0 CA--C 1.542 0.66 0 C-N-CA 125.889 1.676 . . . . 0.0 112.738 175.888 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 mp . . . . . 0 CA--C 1.537 0.464 0 CA-C-O 121.634 0.731 . . . . 0.0 112.111 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.6 mt -85.62 153.06 22.64 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.06 1.744 . . . . 0.0 108.9 168.185 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -125.67 146.41 49.74 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.499 1.12 . . . . 0.0 112.346 -175.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.5 t -69.51 132.81 89.2 Favored Pre-proline 0 CA--C 1.555 1.145 0 C-N-CA 124.499 1.12 . . . . 0.0 110.781 173.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -81.07 -12.93 11.64 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 123.833 3.022 . . . . 0.0 114.05 -174.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 96.3 m -69.99 132.11 45.42 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.902 0.881 . . . . 0.0 111.557 -175.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.41 -32.36 73.7 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -171.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.82 -0.57 89.56 Favored Glycine 0 CA--C 1.54 1.626 0 C-N-CA 124.845 1.212 . . . . 0.0 115.165 174.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.7 t -101.39 165.35 11.31 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.189 1.796 . . . . 0.0 112.499 -175.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -140.89 6.88 2.03 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.954 1.702 . . . . 0.0 112.796 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -75.49 140.9 43.1 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.699 1.2 . . . . 0.0 113.593 -172.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.5 p -145.28 152.35 39.78 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.476 1.51 . . . . 0.0 112.529 172.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.4 t -159.78 147.12 12.75 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 124.731 1.213 . . . . 0.0 111.827 -177.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -75.52 -7.26 18.55 Favored 'Trans proline' 0 CA--C 1.543 0.939 0 C-N-CA 122.726 2.284 . . . . 0.0 114.215 176.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -114.82 131.77 56.71 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.584 1.084 . . . . 0.0 113.514 -173.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -70.03 -25.98 63.83 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -84.21 -34.99 23.81 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.846 0.858 . . . . 0.0 111.034 176.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -61.92 -35.65 79.01 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 118.504 0.593 . . . . 0.0 111.541 169.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.3 tp -68.11 -46.9 69.65 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 118.761 -0.638 . . . . 0.0 111.79 173.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -56.65 -41.99 78.15 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.662 1.119 . . . . 0.0 112.701 175.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.74 -17.24 62.83 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 124.825 1.25 . . . . 0.0 114.25 172.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -95.6 -37.98 10.6 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.602 1.161 . . . . 0.0 112.855 169.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.8 mt -56.42 -35.64 68.04 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 120.548 1.522 . . . . 0.0 112.451 -178.002 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -59.55 -23.42 62.85 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 175.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -24.5 36.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.167 0.987 . . . . 0.0 112.191 176.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 . . . . . 0 CA--C 1.545 0.785 0 C-N-CA 125.325 1.45 . . . . 0.0 113.95 179.403 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 mp . . . . . 0 CA--C 1.54 0.584 0 CA-C-O 121.826 0.822 . . . . 0.0 113.19 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.8 mt -86.52 153.31 21.94 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.636 1.974 . . . . 0.0 109.819 168.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.75 141.48 51.15 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.149 1.38 . . . . 0.0 111.665 -176.383 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.1 t -59.05 130.19 86.5 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 124.543 1.137 . . . . 0.0 111.449 171.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -79.11 -6.81 15.09 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.871 3.047 . . . . 0.0 113.494 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.7 m -76.32 138.04 40.24 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.667 0.787 . . . . 0.0 111.581 -174.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -61.59 129.89 43.27 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.609 0.764 . . . . 0.0 112.168 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.99 -3.14 47.34 Favored Glycine 0 CA--C 1.54 1.651 0 C-N-CA 124.697 1.142 . . . . 0.0 115.906 -178.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.5 t -87.36 126.52 34.91 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 119.184 1.492 . . . . 0.0 110.9 177.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -99.37 1.41 44.32 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.639 1.576 . . . . 0.0 114.103 -172.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -63.3 137.45 58.19 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 124.274 1.03 . . . . 0.0 113.251 -175.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.1 p -144.86 151.17 38.33 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.845 1.258 . . . . 0.0 112.589 173.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.4 t -158.64 146.9 13.88 Favored Pre-proline 0 N--CA 1.477 0.888 0 C-N-CA 124.833 1.253 . . . . 0.0 111.806 -177.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -76.01 -8.58 18.99 Favored 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 122.614 2.21 . . . . 0.0 113.09 172.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -107.4 117.6 34.52 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.194 1.398 . . . . 0.0 113.061 -172.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.95 -47.0 71.76 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.716 1.607 . . . . 0.0 112.626 177.521 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -72.79 -28.97 62.9 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -177.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -71.12 -35.18 71.66 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 121.659 -0.65 . . . . 0.0 111.615 170.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.4 tp -64.66 -45.52 86.38 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 118.841 -0.6 . . . . 0.0 111.618 170.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -57.47 -42.19 82.11 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.496 1.043 . . . . 0.0 112.144 174.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.91 -13.48 59.77 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 172.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -97.15 -29.64 13.48 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.726 1.61 . . . . 0.0 113.0 170.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.16 -37.17 81.93 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 119.924 -1.735 . . . . 0.0 112.191 176.024 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -62.64 -21.31 65.58 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.1 t -62.37 -31.14 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.747 1.619 . . . . 0.0 111.045 173.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 . . . . . 0 CA--C 1.538 0.518 0 C-N-CA 124.776 1.23 . . . . 0.0 113.434 -178.714 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.8 mp . . . . . 0 CA--C 1.539 0.552 0 CA-C-O 121.669 0.747 . . . . 0.0 112.051 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.1 mt -90.08 153.42 20.56 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.649 1.98 . . . . 0.0 109.258 169.075 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -124.54 148.8 47.56 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.128 0.971 . . . . 0.0 113.534 -176.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.3 t -66.48 132.01 94.22 Favored Pre-proline 0 CA--C 1.554 1.123 0 C-N-CA 124.775 1.23 . . . . 0.0 110.927 170.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -86.18 -13.14 5.51 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 123.896 3.064 . . . . 0.0 113.953 -176.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.6 m -71.78 141.28 49.72 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.793 0.837 . . . . 0.0 112.439 -169.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -60.63 134.2 56.84 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.622 0.769 . . . . 0.0 112.336 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.15 -4.72 53.64 Favored Glycine 0 CA--C 1.541 1.684 0 C-N-CA 124.675 1.131 . . . . 0.0 115.484 -175.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.8 t -99.36 147.81 24.84 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.816 1.646 . . . . 0.0 111.096 174.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -142.5 17.98 2.03 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.783 1.233 . . . . 0.0 113.086 -178.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -60.35 138.91 57.89 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.828 1.251 . . . . 0.0 112.09 176.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.9 p -138.57 151.63 47.47 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.604 1.161 . . . . 0.0 113.252 177.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -158.93 147.39 13.98 Favored Pre-proline 0 N--CA 1.476 0.857 0 C-N-CA 125.094 1.358 . . . . 0.0 111.095 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -74.67 -7.35 19.32 Favored 'Trans proline' 0 CA--C 1.545 1.052 0 C-N-CA 122.661 2.241 . . . . 0.0 113.811 174.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -110.65 130.12 55.65 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 119.567 1.076 . . . . 0.0 113.835 -174.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -56.79 -43.86 81.31 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.361 1.465 . . . . 0.0 113.231 176.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -81.49 -30.83 33.16 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.537 0.735 . . . . 0.0 111.638 -174.338 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.66 -37.45 87.4 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 118.6 0.636 . . . . 0.0 110.708 167.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.0 tp -66.42 -46.04 77.88 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-O 118.443 -0.789 . . . . 0.0 111.935 173.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -56.99 -42.44 80.27 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 119.837 1.199 . . . . 0.0 112.45 175.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.61 -24.0 66.4 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 173.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -88.57 -32.88 17.91 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.306 1.042 . . . . 0.0 113.082 170.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.7 mt -57.05 -35.17 69.01 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 121.447 1.93 . . . . 0.0 111.064 172.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -57.87 -21.45 43.02 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.163 1.385 . . . . 0.0 114.697 173.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 m -70.89 -21.97 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 120.34 1.427 . . . . 0.0 112.518 173.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 . . . . . 0 CA--C 1.541 0.609 0 C-N-CA 125.861 1.664 . . . . 0.0 113.065 -179.221 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.6 mt . . . . . 0 CA--C 1.539 0.524 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.5 mt -80.57 152.47 28.59 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.109 1.363 . . . . 0.0 108.094 166.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -125.85 151.15 47.23 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.8 t -64.11 130.94 94.82 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 124.765 1.226 . . . . 0.0 111.407 172.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -82.8 -7.41 11.4 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 124.13 3.22 . . . . 0.0 113.409 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.4 m -74.06 140.58 45.45 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.836 0.854 . . . . 0.0 111.852 -171.286 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -64.87 139.88 58.81 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.285 -0.884 . . . . 0.0 112.298 176.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.15 -5.61 25.75 Favored Glycine 0 CA--C 1.544 1.866 0 C-N-CA 124.581 1.086 . . . . 0.0 115.592 -174.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.7 t -95.36 152.9 17.98 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.917 1.687 . . . . 0.0 111.378 176.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -141.68 16.15 2.16 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.103 1.361 . . . . 0.0 112.801 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -63.15 144.73 56.66 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.605 1.162 . . . . 0.0 112.672 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.7 p -143.79 149.38 36.97 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.109 1.364 . . . . 0.0 113.128 178.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.6 t -159.24 148.04 14.14 Favored Pre-proline 0 N--CA 1.478 0.962 0 C-N-CA 125.293 1.437 . . . . 0.0 111.357 -176.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -78.08 -6.64 15.92 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.296 1.997 . . . . 0.0 113.759 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -115.45 131.5 56.91 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.418 1.087 . . . . 0.0 113.593 -171.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -69.45 -24.59 63.83 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -86.53 -35.26 19.64 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.316 0.962 . . . . 0.0 111.325 176.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -61.78 -35.75 79.07 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 118.836 0.744 . . . . 0.0 111.343 169.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 55.3 tp -66.2 -48.69 69.82 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.334 0.654 . . . . 0.0 111.914 173.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -57.16 -41.24 78.84 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 118.881 0.764 . . . . 0.0 112.741 176.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.61 -28.51 69.67 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.219 1.008 . . . . 0.0 113.358 172.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -79.07 -31.15 44.32 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.208 -0.933 . . . . 0.0 112.859 170.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.8 mt -56.88 -27.53 60.63 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.935 1.698 . . . . 0.0 112.022 173.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -62.97 -30.09 71.31 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.727 1.211 . . . . 0.0 113.404 175.146 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.8 m -62.8 -26.61 41.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 119.907 1.231 . . . . 0.0 112.389 -175.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 . . . . . 0 CA--C 1.546 0.816 0 C-N-CA 125.625 1.57 . . . . 0.0 113.751 -178.416 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 CA--C 1.54 0.584 0 CA-C-O 121.521 0.677 . . . . 0.0 112.097 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.9 mt -106.78 153.07 23.0 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.157 2.183 . . . . 0.0 108.497 168.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -127.33 150.82 49.42 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.367 1.067 . . . . 0.0 113.653 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.6 t -64.25 131.87 95.15 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 125.458 1.503 . . . . 0.0 111.42 173.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -83.05 -7.08 11.22 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 124.063 3.175 . . . . 0.0 113.568 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.2 m -74.66 140.65 44.38 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.695 0.798 . . . . 0.0 112.237 -170.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -61.42 133.89 56.28 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.462 -0.774 . . . . 0.0 112.165 177.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.13 -3.43 52.23 Favored Glycine 0 CA--C 1.542 1.721 0 C-N-CA 124.646 1.117 . . . . 0.0 115.488 -176.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.7 t -98.68 151.72 20.42 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.863 1.665 . . . . 0.0 111.089 176.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -141.47 10.73 2.08 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.929 1.292 . . . . 0.0 113.315 -178.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -56.33 141.73 40.63 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.053 1.341 . . . . 0.0 112.298 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.8 p -139.88 151.61 45.78 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 176.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 t -159.44 148.46 14.23 Favored Pre-proline 0 N--CA 1.475 0.819 0 C-N-CA 125.692 1.597 . . . . 0.0 110.795 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -75.99 -11.78 19.69 Favored 'Trans proline' 0 CA--C 1.546 1.08 0 C-N-CA 122.435 2.09 . . . . 0.0 113.117 172.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -102.35 120.19 40.08 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.893 1.277 . . . . 0.0 112.611 -174.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -62.04 -33.76 74.97 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 121.285 -0.884 . . . . 0.0 113.348 177.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -69.62 -41.7 75.31 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.688 0.795 . . . . 0.0 111.782 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -63.12 -38.5 91.44 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.091 1.357 . . . . 0.0 111.718 171.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.3 tp -65.27 -46.47 80.36 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 118.952 -0.547 . . . . 0.0 111.975 174.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -57.61 -42.4 83.2 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.233 0.924 . . . . 0.0 111.93 174.415 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.48 -26.98 68.17 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 173.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -78.21 -31.41 49.39 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 120.949 -1.094 . . . . 0.0 112.664 170.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.2 mt -56.32 -28.18 58.06 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 120.948 1.704 . . . . 0.0 111.968 173.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -63.07 -27.69 69.57 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.571 1.548 . . . . 0.0 113.754 174.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.3 m -65.3 -22.78 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 CA-C-N 119.956 1.253 . . . . 0.0 112.357 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 . . . . . 0 CA--C 1.545 0.755 0 C-N-CA 125.177 1.391 . . . . 0.0 113.565 -179.433 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 CA--C 1.539 0.549 0 CA-C-O 120.912 0.386 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.0 mt -113.33 129.77 56.44 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.973 1.709 . . . . 0.0 109.509 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt -95.3 146.15 24.58 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.019 1.327 . . . . 0.0 113.501 -174.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.2 t -65.61 134.13 95.34 Favored Pre-proline 0 CA--C 1.554 1.104 0 C-N-CA 125.452 1.501 . . . . 0.0 111.292 169.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -67.62 -23.58 42.67 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 123.412 2.742 . . . . 0.0 114.676 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.9 m -70.12 132.53 45.97 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.937 0.895 . . . . 0.0 112.264 -171.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -65.65 132.94 50.03 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.669 0.788 . . . . 0.0 112.066 178.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.12 -0.48 58.82 Favored Glycine 0 CA--C 1.54 1.651 0 N-CA-C 115.749 1.06 . . . . 0.0 115.749 -178.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.5 t -79.03 -48.63 14.07 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.885 1.342 . . . . 0.0 112.357 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . 0.28 2.0 p30 51.4 9.06 0.06 Allowed 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 129.711 3.205 . . . . 0.0 117.427 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -56.81 142.14 41.91 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.544 1.537 . . . . 0.0 112.604 177.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 p -143.94 154.39 43.26 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 169.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 t -151.73 149.24 23.43 Favored Pre-proline 0 N--CA 1.472 0.656 0 C-N-CA 126.221 1.809 . . . . 0.0 110.338 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -76.38 -3.61 14.03 Favored 'Trans proline' 0 CA--C 1.544 0.975 0 C-N-CA 122.832 2.355 . . . . 0.0 114.238 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -116.09 130.58 56.87 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.498 1.119 . . . . 0.0 112.942 -175.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -69.17 -23.86 63.99 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 -178.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -87.05 -34.05 19.32 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.129 0.971 . . . . 0.0 111.477 176.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -62.83 -36.06 81.98 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 118.861 0.755 . . . . 0.0 111.599 169.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.1 tp -67.02 -45.29 77.96 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.29 0.496 . . . . 0.0 111.676 173.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -59.07 -42.16 89.72 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.138 0.881 . . . . 0.0 112.561 175.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.65 -29.19 69.91 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.041 0.936 . . . . 0.0 113.093 171.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -77.63 -34.76 53.19 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.657 0.783 . . . . 0.0 112.88 170.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 68.7 mt -56.7 -33.35 66.37 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.745 1.611 . . . . 0.0 112.185 176.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -60.25 -23.24 63.94 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.661 1.184 . . . . 0.0 113.874 174.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.08 -23.86 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.053 0.941 . . . . 0.0 112.305 176.228 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 . . . . . 0 CA--C 1.541 0.63 0 C-N-CA 124.823 1.249 . . . . 0.0 113.385 178.697 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 CA--C 1.539 0.551 0 CA-C-O 121.437 0.637 . . . . 0.0 111.779 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.2 mt -89.85 150.08 22.38 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.141 1.776 . . . . 0.0 108.395 168.239 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -126.72 147.38 49.97 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.152 0.981 . . . . 0.0 112.664 -172.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.9 t -67.98 132.17 92.18 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 124.331 1.052 . . . . 0.0 111.178 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -80.19 -8.84 14.09 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.99 3.127 . . . . 0.0 113.888 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.1 m -74.16 129.73 38.4 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.793 0.837 . . . . 0.0 111.101 -177.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.83 -31.2 71.66 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -172.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.56 3.43 82.53 Favored Glycine 0 CA--C 1.539 1.565 0 C-N-CA 125.037 1.303 . . . . 0.0 115.28 174.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.5 t -108.99 160.07 16.31 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.192 1.797 . . . . 0.0 112.319 -174.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -132.45 4.35 3.97 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.264 1.826 . . . . 0.0 113.011 -177.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -72.63 141.16 48.32 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.581 1.152 . . . . 0.0 113.801 -172.214 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.1 p -145.06 153.7 41.72 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.437 1.495 . . . . 0.0 112.542 171.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -160.18 148.41 13.25 Favored Pre-proline 0 N--CA 1.477 0.908 0 C-N-CA 125.209 1.404 . . . . 0.0 111.408 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -75.81 -7.89 18.74 Favored 'Trans proline' 0 CA--C 1.547 1.135 0 C-N-CA 122.412 2.075 . . . . 0.0 113.3 173.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -108.21 121.12 44.21 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.608 1.163 . . . . 0.0 113.108 -172.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -64.28 -24.54 67.7 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 176.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -84.93 -26.49 27.2 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.468 -0.77 . . . . 0.0 112.472 177.031 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -73.87 -40.32 63.32 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.645 -0.659 . . . . 0.0 110.441 169.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.6 tp -64.66 -49.24 71.77 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 118.573 -0.727 . . . . 0.0 112.379 176.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -60.88 -33.06 72.52 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.775 1.17 . . . . 0.0 112.508 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.84 -28.48 61.62 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 175.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -76.84 -31.63 57.01 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.447 1.099 . . . . 0.0 112.841 171.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.0 mt -55.22 -31.46 61.49 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 121.064 1.756 . . . . 0.0 112.159 175.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -66.08 -24.72 66.76 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.398 1.479 . . . . 0.0 113.89 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.3 m -63.53 -26.84 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 120.012 1.278 . . . . 0.0 112.262 -178.091 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 . . . . . 0 CA--C 1.543 0.707 0 C-N-CA 125.66 1.584 . . . . 0.0 113.872 -177.409 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.589 0 N-CA-C 112.138 -0.385 . . . . 0.0 112.138 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.8 p -146.1 160.15 42.31 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.5 1.52 . . . . 0.0 112.394 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.9 p -80.62 153.25 28.08 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.729 1.211 . . . . 0.0 113.323 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.26 168.08 30.76 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 125.056 1.312 . . . . 0.0 113.023 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 m -71.94 119.92 16.8 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.966 0.906 . . . . 0.0 111.778 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -157.75 170.24 22.81 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.381 1.472 . . . . 0.0 111.577 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.14 -178.89 36.09 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.468 1.032 . . . . 0.0 113.494 170.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.8 mm -77.98 125.64 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.772 -0.84 . . . . 0.0 109.608 175.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.9 136.16 45.21 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.943 0.897 . . . . 0.0 111.918 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.1 mt -103.87 147.19 27.61 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 127.062 2.145 . . . . 0.0 108.338 168.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -122.17 147.83 45.68 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.187 0.995 . . . . 0.0 112.569 -171.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.2 t -66.75 130.86 94.0 Favored Pre-proline 0 CA--C 1.552 1.04 0 C-N-CA 124.216 1.006 . . . . 0.0 111.219 174.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -81.46 -7.34 12.75 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.938 3.092 . . . . 0.0 113.577 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.0 m -77.93 139.51 39.21 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.832 0.853 . . . . 0.0 112.259 -169.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -63.17 136.61 57.85 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.683 0.793 . . . . 0.0 112.085 177.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.55 -5.61 36.21 Favored Glycine 0 CA--C 1.54 1.653 0 C-N-CA 124.695 1.14 . . . . 0.0 115.676 -177.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.9 t -84.41 156.98 21.55 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.267 1.427 . . . . 0.0 111.667 174.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -135.17 6.69 3.35 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.926 1.69 . . . . 0.0 112.913 -175.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -72.54 140.56 48.21 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.633 1.173 . . . . 0.0 113.394 -174.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.9 p -145.37 154.43 42.29 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.893 1.277 . . . . 0.0 112.453 170.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.6 t -158.32 147.97 15.12 Favored Pre-proline 0 N--CA 1.476 0.861 0 C-N-CA 125.158 1.383 . . . . 0.0 111.407 -177.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -76.15 -5.8 16.62 Favored 'Trans proline' 0 CA--C 1.546 1.099 0 C-N-CA 122.563 2.175 . . . . 0.0 113.763 175.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -112.35 128.9 56.42 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.263 1.025 . . . . 0.0 113.523 -174.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.0 ptmt -64.94 -32.96 74.93 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -82.55 -33.26 28.22 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.065 0.946 . . . . 0.0 111.556 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -63.06 -37.45 87.26 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.668 0.667 . . . . 0.0 111.083 168.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.8 tp -65.48 -46.69 78.79 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 118.872 -0.585 . . . . 0.0 111.99 173.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -57.83 -42.81 85.12 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.411 1.005 . . . . 0.0 112.089 174.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.05 -26.73 68.98 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 173.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -79.57 -34.81 40.57 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.72 0.808 . . . . 0.0 112.833 170.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 42.7 mt -58.23 -33.08 68.95 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 120.761 1.619 . . . . 0.0 111.982 175.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -58.93 -22.59 60.17 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.779 1.232 . . . . 0.0 113.868 173.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.93 -20.8 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.404 1.082 . . . . 0.0 112.641 174.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -100.5 -37.26 8.89 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.312 1.445 . . . . 0.0 112.635 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 77.5 p -84.53 -17.01 40.28 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -178.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.3 163.33 32.75 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.592 1.557 . . . . 0.0 112.223 176.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.6 tp -150.5 138.75 20.31 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.576 1.55 . . . . 0.0 110.278 177.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 126.336 1.854 . . . . 0.0 112.597 178.264 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.581 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -79.48 -12.87 59.87 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -174.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 m -67.48 152.15 46.15 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.966 1.306 . . . . 0.0 113.485 -177.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.64 176.24 45.56 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 125.077 1.322 . . . . 0.0 112.943 178.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.7 p -76.14 146.78 38.99 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.217 1.007 . . . . 0.0 113.11 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.2 p -158.84 167.87 28.29 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.648 1.579 . . . . 0.0 111.833 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.82 148.82 50.88 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 123.559 0.599 . . . . 0.0 112.552 171.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.6 pt -123.96 155.06 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.085 1.354 . . . . 0.0 112.793 -173.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.94 139.16 34.77 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.763 1.225 . . . . 0.0 110.847 173.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.9 mt -93.09 151.65 19.74 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.756 1.622 . . . . 0.0 108.599 168.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -128.39 150.32 50.16 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.186 0.994 . . . . 0.0 113.379 -177.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.3 t -69.96 133.21 88.15 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 125.255 1.422 . . . . 0.0 111.621 174.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -86.35 -13.69 5.11 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 124.037 3.158 . . . . 0.0 114.022 -176.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 37.8 m -71.23 142.0 50.6 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.078 0.951 . . . . 0.0 112.229 -171.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -64.58 141.59 58.72 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.373 -0.829 . . . . 0.0 112.72 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.93 -6.68 25.56 Favored Glycine 0 CA--C 1.541 1.695 0 C-N-CA 124.504 1.05 . . . . 0.0 115.408 -174.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.8 t -97.39 153.56 18.01 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.073 1.749 . . . . 0.0 111.329 175.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -142.68 12.15 1.88 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.08 1.352 . . . . 0.0 113.144 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -56.8 143.91 35.09 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.862 1.265 . . . . 0.0 112.609 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 93.9 p -142.46 151.22 41.51 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.473 1.109 . . . . 0.0 113.313 176.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.7 t -160.74 148.66 12.71 Favored Pre-proline 0 N--CA 1.476 0.853 0 C-N-CA 125.032 1.333 . . . . 0.0 111.802 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -77.33 -9.54 17.58 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 122.51 2.14 . . . . 0.0 113.69 175.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -111.22 129.88 55.82 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.487 1.04 . . . . 0.0 113.258 -173.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -65.31 -32.75 74.57 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -77.59 -32.26 53.55 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.025 0.83 . . . . 0.0 111.753 178.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -64.25 -39.45 93.98 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.155 0.582 . . . . 0.0 111.083 169.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 42.8 tp -66.17 -44.47 83.94 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 118.782 -0.628 . . . . 0.0 111.845 174.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -57.79 -43.42 85.62 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.596 1.089 . . . . 0.0 112.036 173.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.19 -28.19 69.5 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 173.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -79.99 -36.59 35.76 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.62 0.768 . . . . 0.0 113.047 171.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.09 -32.69 70.03 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 120.233 -1.542 . . . . 0.0 111.847 176.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.34 -17.1 57.99 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 173.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.3 -25.44 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.992 0.917 . . . . 0.0 112.108 172.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -94.59 -26.9 16.19 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.012 1.325 . . . . 0.0 113.501 -178.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.9 p -79.89 -22.28 43.0 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 113.302 0.852 . . . . 0.0 113.302 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.5 135.75 48.85 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.233 1.013 . . . . 0.0 111.968 174.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 47.3 tp -86.92 -29.84 21.81 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.278 1.031 . . . . 0.0 113.241 -177.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.252 1.222 0 C-N-CA 126.294 1.838 . . . . 0.0 112.566 -178.111 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.498 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -136.29 154.27 50.93 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.267 1.427 . . . . 0.0 112.015 -176.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.3 p -76.62 -15.72 59.75 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.9 -177.37 46.63 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.529 1.538 . . . . 0.0 112.857 177.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 m -134.74 149.19 50.42 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.375 1.47 . . . . 0.0 111.815 -178.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 m -73.98 -16.49 61.07 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -176.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.96 178.89 48.52 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 125.454 1.502 . . . . 0.0 112.84 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 51.7 mt -131.16 133.63 62.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 125.576 1.551 . . . . 0.0 109.221 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.2 mp -75.2 145.55 41.94 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.06 0.944 . . . . 0.0 112.34 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.2 mt -81.09 152.3 27.91 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.289 1.435 . . . . 0.0 109.005 168.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -130.4 146.7 52.01 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.33 1.052 . . . . 0.0 112.348 -173.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.2 t -70.53 129.38 90.19 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 124.293 1.037 . . . . 0.0 110.575 172.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -85.0 -5.86 9.58 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 124.025 3.15 . . . . 0.0 113.476 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.1 m -74.15 140.39 45.15 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.96 0.904 . . . . 0.0 112.377 -169.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -62.0 134.22 56.35 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.445 -0.785 . . . . 0.0 112.235 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.28 -5.42 43.21 Favored Glycine 0 CA--C 1.54 1.638 0 C-N-CA 124.696 1.141 . . . . 0.0 115.601 -176.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.3 t -86.66 156.42 20.0 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.211 1.404 . . . . 0.0 111.659 174.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -138.2 9.12 2.73 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.843 1.657 . . . . 0.0 112.817 -175.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -72.61 139.76 47.6 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.678 1.191 . . . . 0.0 113.298 -174.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.6 p -145.05 153.47 41.49 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.47 1.508 . . . . 0.0 112.491 172.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 t -160.31 148.2 12.92 Favored Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 124.683 1.193 . . . . 0.0 111.933 -177.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -75.42 -7.99 19.22 Favored 'Trans proline' 0 CA--C 1.544 1.006 0 C-N-CA 122.569 2.179 . . . . 0.0 113.841 174.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -113.25 131.83 55.76 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -172.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.91 -42.65 99.33 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.622 1.169 . . . . 0.0 113.206 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -76.6 -32.52 58.13 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.832 0.853 . . . . 0.0 111.744 -177.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -63.69 -38.37 90.87 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 118.691 0.678 . . . . 0.0 111.376 169.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.6 tp -66.18 -45.07 82.15 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 118.784 -0.627 . . . . 0.0 111.861 173.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -56.08 -43.18 77.75 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.614 1.097 . . . . 0.0 112.278 173.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.39 -20.5 66.41 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 174.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -88.74 -40.32 13.31 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.975 0.91 . . . . 0.0 112.494 169.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.2 mt -57.83 -34.95 70.24 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.556 -1.34 . . . . 0.0 112.538 -177.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -59.38 -22.62 61.64 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 174.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.5 -23.49 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.311 1.045 . . . . 0.0 112.35 175.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -96.96 -14.75 21.49 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.394 1.478 . . . . 0.0 113.825 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.6 p -125.45 2.45 7.68 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 114.83 1.419 . . . . 0.0 114.83 -170.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.12 146.09 44.42 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 121.083 -1.011 . . . . 0.0 112.918 176.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.5 mt 58.77 20.28 7.74 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 126.574 1.95 . . . . 0.0 115.46 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.6 t70 . . . . . 0 C--O 1.253 1.248 0 C-N-CA 125.076 1.351 . . . . 0.0 113.584 173.491 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.651 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -77.86 -12.79 60.01 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -174.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -148.25 168.4 22.62 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.592 1.557 . . . . 0.0 111.788 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.17 170.05 45.26 Favored Glycine 0 CA--C 1.54 1.601 0 C-N-CA 124.917 1.246 . . . . 0.0 114.316 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.0 p -78.52 -21.62 48.55 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -177.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 t -79.18 139.84 37.87 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.852 0.861 . . . . 0.0 112.258 177.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.93 -5.48 80.86 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.729 1.157 . . . . 0.0 115.118 175.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.2 pt -134.29 156.4 40.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-N 118.609 1.204 . . . . 0.0 114.046 -169.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 mp -74.58 156.47 36.76 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.669 1.588 . . . . 0.0 111.425 169.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.1 mt -76.39 152.93 36.11 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.205 1.002 . . . . 0.0 108.892 167.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -124.05 150.22 45.21 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 177.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.5 t -65.0 133.4 95.76 Favored Pre-proline 0 CA--C 1.553 1.079 0 C-N-CA 125.544 1.538 . . . . 0.0 111.773 172.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -84.65 -13.83 6.84 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 124.025 3.15 . . . . 0.0 114.122 -176.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.2 m -70.99 140.98 51.01 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.871 0.869 . . . . 0.0 112.388 -171.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -60.83 134.38 57.03 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.731 0.813 . . . . 0.0 112.339 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.12 -6.01 45.66 Favored Glycine 0 CA--C 1.541 1.678 0 C-N-CA 124.777 1.179 . . . . 0.0 115.484 -176.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.7 t -93.14 148.5 21.97 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.455 1.502 . . . . 0.0 111.11 174.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -141.07 20.0 2.28 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.14 1.376 . . . . 0.0 112.524 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -60.58 141.94 56.05 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.416 1.086 . . . . 0.0 111.745 175.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.0 p -139.55 152.41 46.87 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.389 1.076 . . . . 0.0 113.514 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -161.32 147.89 11.45 Favored Pre-proline 0 N--CA 1.475 0.808 0 C-N-CA 124.993 1.317 . . . . 0.0 111.142 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -78.57 -7.27 15.75 Favored 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 122.372 2.048 . . . . 0.0 114.025 177.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -114.01 130.95 56.51 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.695 1.134 . . . . 0.0 113.259 -175.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -31.81 73.17 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 177.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -74.07 -36.61 64.33 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.489 1.04 . . . . 0.0 111.597 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.67 -33.58 76.22 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.517 0.727 . . . . 0.0 111.503 172.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 45.9 tp -69.96 -46.57 64.95 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 118.968 -0.539 . . . . 0.0 111.727 173.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -55.7 -43.84 76.84 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 118.956 0.798 . . . . 0.0 112.142 174.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.47 -29.17 68.88 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.0 0.92 . . . . 0.0 113.447 173.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -80.82 -33.72 34.49 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 118.92 0.782 . . . . 0.0 112.891 171.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 76.6 mt -57.99 -33.7 69.18 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 120.667 1.576 . . . . 0.0 111.693 175.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -60.09 -21.82 61.99 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 173.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.17 -24.53 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 119.24 0.927 . . . . 0.0 112.016 173.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -95.89 -38.13 10.4 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.242 1.417 . . . . 0.0 112.699 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.9 p -88.11 -25.74 22.84 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -177.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 51.32 31.71 7.42 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.945 1.698 . . . . 0.0 114.061 -172.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -70.4 -40.66 73.77 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.017 1.327 . . . . 0.0 113.146 -170.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 C--O 1.251 1.166 0 C-N-CA 125.949 1.7 . . . . 0.0 112.852 -173.762 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.661 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 m -72.22 152.38 42.26 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.478 1.111 . . . . 0.0 112.92 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t 57.96 -172.65 0.09 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.962 1.705 . . . . 0.0 114.27 -176.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.74 18.48 80.07 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.83 1.205 . . . . 0.0 114.988 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.0 m -61.27 146.84 46.51 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.208 1.403 . . . . 0.0 112.991 -178.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.2 p -76.58 156.95 32.37 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.386 1.075 . . . . 0.0 113.382 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.41 13.67 54.25 Favored Glycine 0 N--CA 1.472 1.072 0 C-N-CA 125.292 1.425 . . . . 0.0 116.102 -176.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 37.7 pt -127.08 156.81 38.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.599 1.16 . . . . 0.0 113.571 -168.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.4 mt -78.18 160.43 27.99 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.099 1.359 . . . . 0.0 112.854 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.0 mt -82.67 148.29 28.01 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.216 1.406 . . . . 0.0 108.579 167.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -115.98 148.98 39.53 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.621 1.169 . . . . 0.0 112.117 -178.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.4 t -68.46 132.73 91.19 Favored Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 124.482 1.113 . . . . 0.0 111.596 172.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -82.95 -14.64 8.57 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 123.838 3.025 . . . . 0.0 113.931 -177.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.5 m -72.06 140.44 48.97 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.972 0.909 . . . . 0.0 112.41 -172.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -63.26 137.2 58.12 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.879 0.872 . . . . 0.0 112.57 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.37 -6.19 38.99 Favored Glycine 0 CA--C 1.541 1.687 0 C-N-CA 124.832 1.206 . . . . 0.0 115.676 -177.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.3 t -84.85 151.73 24.1 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.31 1.444 . . . . 0.0 111.56 175.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -130.99 8.73 4.81 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.973 1.709 . . . . 0.0 113.642 -177.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -68.73 141.03 55.38 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.682 1.193 . . . . 0.0 113.158 -176.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.4 p -145.08 150.53 36.99 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.164 1.386 . . . . 0.0 112.429 172.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -158.77 147.79 14.48 Favored Pre-proline 0 N--CA 1.476 0.871 0 C-N-CA 124.979 1.311 . . . . 0.0 111.58 -175.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -78.13 -8.64 16.51 Favored 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 122.302 2.001 . . . . 0.0 113.757 177.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -113.06 129.71 56.41 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.24 1.016 . . . . 0.0 113.118 -172.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -65.57 -31.8 73.04 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -77.29 -34.5 55.54 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.91 0.777 . . . . 0.0 111.407 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.4 -38.83 92.41 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.156 0.582 . . . . 0.0 111.074 170.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.6 tp -64.66 -47.26 79.12 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 118.726 -0.654 . . . . 0.0 111.857 174.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -57.42 -43.56 83.88 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.563 1.074 . . . . 0.0 112.175 175.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.91 -27.99 69.2 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 173.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -80.18 -34.97 37.06 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.634 0.774 . . . . 0.0 113.075 171.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.5 mt -58.51 -34.03 70.5 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 120.764 1.62 . . . . 0.0 111.616 175.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.48 -11.56 24.72 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.03 1.332 . . . . 0.0 114.425 174.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -76.41 -24.24 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.143 0.977 . . . . 0.0 112.292 171.167 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -96.1 -18.18 20.35 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.239 1.416 . . . . 0.0 113.773 -177.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.0 p -81.97 -5.07 58.02 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.79 152.68 46.6 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.744 1.617 . . . . 0.0 112.096 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -101.18 -5.69 25.26 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.993 1.317 . . . . 0.0 113.461 -176.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 C--O 1.253 1.285 0 C-N-CA 125.653 1.581 . . . . 0.0 113.95 -179.535 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 112.076 -0.41 . . . . 0.0 112.076 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 t -148.24 153.69 39.06 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.113 1.365 . . . . 0.0 111.608 178.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 m -81.16 36.25 0.41 Allowed 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.687 1.595 . . . . 0.0 114.249 -172.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.16 -136.04 49.91 Favored Glycine 0 CA--C 1.534 1.265 0 O-C-N 121.109 -0.994 . . . . 0.0 112.433 -176.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 m -59.36 -30.73 68.62 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.913 0.885 . . . . 0.0 112.952 174.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 m -78.8 -2.14 38.19 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.908 1.283 . . . . 0.0 113.564 175.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.75 -11.48 80.76 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 124.583 1.087 . . . . 0.0 114.178 171.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.4 mt -84.63 124.2 39.69 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 124.935 1.294 . . . . 0.0 109.397 175.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.57 139.47 31.41 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.318 1.047 . . . . 0.0 111.853 178.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.9 mt -97.36 147.66 23.95 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.298 1.839 . . . . 0.0 108.407 168.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -125.32 147.1 49.27 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.253 1.021 . . . . 0.0 112.491 -173.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 19.0 t -69.57 128.22 92.26 Favored Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 124.453 1.101 . . . . 0.0 110.989 175.176 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 28.9 Cg_exo -71.98 -18.81 27.42 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.281 2.654 . . . . 0.0 114.578 -178.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.9 m -66.92 129.4 39.78 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.133 0.973 . . . . 0.0 111.554 -173.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.0 -31.9 72.78 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -170.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.16 -1.85 90.19 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 124.702 1.144 . . . . 0.0 115.224 175.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.1 t -95.48 170.05 9.62 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.784 1.633 . . . . 0.0 112.878 -174.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -141.17 4.54 1.84 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.293 1.837 . . . . 0.0 112.792 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -76.32 140.12 41.35 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.331 1.052 . . . . 0.0 113.719 -171.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.0 p -145.26 154.17 42.08 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.347 1.459 . . . . 0.0 112.202 170.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.2 t -158.94 149.15 15.44 Favored Pre-proline 0 N--CA 1.477 0.911 0 C-N-CA 124.818 1.247 . . . . 0.0 111.854 -176.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.75 -8.56 19.28 Favored 'Trans proline' 0 CA--C 1.546 1.087 0 C-N-CA 122.628 2.218 . . . . 0.0 113.566 172.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -111.18 121.31 44.96 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.506 1.123 . . . . 0.0 112.942 -171.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -62.6 -26.09 68.43 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 176.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -85.37 -31.68 22.82 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.852 0.861 . . . . 0.0 111.967 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -67.96 -35.75 78.92 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.416 0.553 . . . . 0.0 111.149 169.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.5 tp -64.23 -47.02 81.27 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.123 0.569 . . . . 0.0 111.905 172.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -56.64 -43.91 80.76 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 119.009 0.822 . . . . 0.0 112.399 173.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.33 -19.31 65.9 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 174.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -90.88 -38.49 12.88 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.788 1.235 . . . . 0.0 112.712 171.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 76.4 mt -59.05 -27.93 65.97 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.386 -1.446 . . . . 0.0 113.297 -175.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.1 pttm -62.12 -19.37 62.94 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.961 1.304 . . . . 0.0 114.258 173.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -24.66 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.897 1.279 . . . . 0.0 112.558 -177.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -86.13 -9.79 56.0 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 -173.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 74.4 p -90.69 -8.05 50.95 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.161 0.985 . . . . 0.0 113.547 174.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.41 153.08 40.58 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.63 1.172 . . . . 0.0 112.716 176.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.0 tp -76.72 -31.3 57.08 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.289 1.035 . . . . 0.0 113.157 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 C--O 1.254 1.339 0 C-N-CA 126.358 1.863 . . . . 0.0 112.625 -178.647 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.445 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.4 p -66.6 -28.51 68.56 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.84 0.856 . . . . 0.0 112.477 169.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.7 m -124.91 159.78 30.38 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 127.161 2.184 . . . . 0.0 110.303 168.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.92 -161.86 46.56 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 124.102 0.858 . . . . 0.0 114.401 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.9 p -77.71 163.65 25.98 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.989 1.316 . . . . 0.0 113.177 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.4 m -137.79 151.37 48.07 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.38 1.472 . . . . 0.0 111.47 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.66 54.01 3.68 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 125.401 1.477 . . . . 0.0 114.287 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 39.2 mm -69.08 131.1 34.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 125.175 1.39 . . . . 0.0 110.615 -177.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.01 131.83 42.64 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.641 1.176 . . . . 0.0 111.425 178.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.0 mt -94.18 138.68 31.93 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.809 1.644 . . . . 0.0 108.488 168.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -108.57 146.74 32.84 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.422 1.089 . . . . 0.0 111.868 -175.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.1 t -67.62 130.12 93.24 Favored Pre-proline 0 CA--C 1.552 1.048 0 C-N-CA 124.074 0.949 . . . . 0.0 110.64 169.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -83.07 -6.25 11.24 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 C-N-CA 123.95 3.1 . . . . 0.0 113.563 -178.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.0 m -75.38 139.67 42.52 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.689 0.796 . . . . 0.0 112.153 -169.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -62.38 134.13 56.03 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.563 0.745 . . . . 0.0 112.176 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.28 -4.86 46.57 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 124.677 1.132 . . . . 0.0 115.658 -177.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.9 t -84.28 157.57 21.5 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.022 1.329 . . . . 0.0 111.728 174.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -136.81 6.99 2.95 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.881 1.672 . . . . 0.0 112.826 -176.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -73.06 141.21 47.6 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.575 1.15 . . . . 0.0 113.377 -174.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.6 p -145.63 154.09 41.75 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.581 1.152 . . . . 0.0 112.668 169.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.3 t -158.14 147.58 14.97 Favored Pre-proline 0 N--CA 1.476 0.832 0 C-N-CA 125.158 1.383 . . . . 0.0 111.303 -178.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -76.34 -5.35 16.09 Favored 'Trans proline' 0 CA--C 1.544 1.019 0 C-N-CA 122.539 2.159 . . . . 0.0 114.152 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -115.3 131.89 56.79 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.65 1.114 . . . . 0.0 113.622 -174.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -54.73 -44.83 73.89 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.431 1.492 . . . . 0.0 112.99 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -81.12 -28.41 35.15 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.357 0.663 . . . . 0.0 111.815 -173.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.85 -37.05 85.16 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.767 -0.583 . . . . 0.0 110.745 168.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.8 tp -66.56 -45.53 79.04 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.868 -0.587 . . . . 0.0 111.648 173.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -57.3 -41.58 80.13 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.45 1.023 . . . . 0.0 112.43 174.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.46 -18.7 65.52 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 173.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -89.7 -37.92 14.23 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.201 1.001 . . . . 0.0 112.422 169.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.2 mt -56.04 -35.87 67.37 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 120.472 1.487 . . . . 0.0 112.532 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -61.07 -21.72 63.92 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.66 1.355 . . . . 0.0 114.66 175.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.15 -23.69 33.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.159 0.984 . . . . 0.0 112.339 175.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -92.57 -15.78 26.5 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.95 1.3 . . . . 0.0 113.726 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.9 p -107.91 -26.18 10.85 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.602 1.161 . . . . 0.0 113.655 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.43 153.02 43.43 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.205 1.002 . . . . 0.0 112.522 173.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -153.14 156.28 38.34 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.318 1.847 . . . . 0.0 110.941 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 126.897 2.079 . . . . 0.0 112.687 178.829 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.589 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.8 m 53.41 37.28 25.15 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.112 1.365 . . . . 0.0 113.482 -174.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.1 p -143.45 165.77 26.63 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.159 1.784 . . . . 0.0 112.449 -169.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.94 -135.58 28.25 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 123.772 0.701 . . . . 0.0 112.859 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 p -77.89 36.78 0.23 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.812 1.645 . . . . 0.0 114.155 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.0 p -73.61 -19.83 60.76 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.251 1.421 . . . . 0.0 114.404 -178.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.4 6.83 81.63 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 124.468 1.032 . . . . 0.0 114.469 -170.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.5 mt 64.56 128.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 128.211 2.604 . . . . 0.0 112.794 -171.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -82.5 135.3 35.14 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.225 1.01 . . . . 0.0 111.849 -178.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.5 mt -95.0 150.81 19.76 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.333 1.853 . . . . 0.0 108.299 168.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -127.78 151.83 48.53 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.626 0.972 . . . . 0.0 113.626 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.9 t -69.19 135.34 89.18 Favored Pre-proline 0 CA--C 1.554 1.114 0 C-N-CA 125.52 1.528 . . . . 0.0 111.453 174.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -82.29 -13.79 9.79 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 124.002 3.134 . . . . 0.0 114.07 -175.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 95.1 m -68.11 133.77 49.48 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.027 0.931 . . . . 0.0 111.655 -175.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -66.4 -32.26 73.54 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -172.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.99 4.57 74.97 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 125.057 1.313 . . . . 0.0 115.227 174.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.4 t -117.72 158.48 24.64 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.55 1.94 . . . . 0.0 112.001 -172.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -144.1 16.91 1.74 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.283 1.433 . . . . 0.0 112.614 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -62.92 143.05 58.04 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.193 0.997 . . . . 0.0 112.317 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.1 p -143.7 151.57 40.22 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.593 1.157 . . . . 0.0 113.15 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 t -160.37 148.41 13.01 Favored Pre-proline 0 N--CA 1.475 0.824 0 C-N-CA 125.252 1.421 . . . . 0.0 111.1 179.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -78.26 -7.2 16.03 Favored 'Trans proline' 0 CA--C 1.544 0.986 0 C-N-CA 122.299 1.999 . . . . 0.0 113.214 172.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -104.59 125.95 51.22 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.467 1.107 . . . . 0.0 113.199 -173.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -69.41 -20.18 63.8 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -91.86 -34.17 14.64 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.33 1.052 . . . . 0.0 111.906 176.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.82 -37.31 81.57 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.172 0.896 . . . . 0.0 111.562 170.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.3 tp -65.68 -44.54 85.91 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 122.881 0.473 . . . . 0.0 112.179 173.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -62.83 -32.38 73.58 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.93 -36.16 75.1 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.414 1.085 . . . . 0.0 112.562 169.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -73.22 -37.28 66.46 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.458 -0.776 . . . . 0.0 112.993 175.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 79.5 mt -56.26 -31.22 63.38 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 120.058 1.299 . . . . 0.0 112.786 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -65.45 -22.67 66.78 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.722 1.209 . . . . 0.0 113.502 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.93 -26.15 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.161 0.985 . . . . 0.0 112.151 177.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -83.11 -2.22 54.84 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.093 1.357 . . . . 0.0 114.006 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.1 t -123.52 8.68 8.97 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.302 1.441 . . . . 0.0 112.921 169.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.86 168.47 19.22 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.127 1.371 . . . . 0.0 112.415 173.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.8 tp -142.69 135.48 28.05 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.579 1.551 . . . . 0.0 110.368 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--O 1.254 1.302 0 C-N-CA 126.509 1.924 . . . . 0.0 112.519 179.337 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.492 0 N-CA-C 111.868 -0.493 . . . . 0.0 111.868 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.4 p -146.59 161.51 40.35 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.416 1.486 . . . . 0.0 112.334 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.5 m 61.29 167.9 0.1 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 126.672 1.989 . . . . 0.0 115.057 -174.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.67 141.21 34.59 Favored Glycine 0 CA--C 1.536 1.405 0 O-C-N 121.208 -0.933 . . . . 0.0 113.688 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.3 p -79.65 -7.52 58.61 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.036 1.334 . . . . 0.0 114.287 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.9 p -78.65 -1.51 34.64 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.114 1.766 . . . . 0.0 114.865 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.93 -170.88 40.31 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.009 1.29 . . . . 0.0 114.53 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 38.8 mm -104.73 140.65 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.647 1.579 . . . . 0.0 110.606 -173.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.2 mp -71.93 144.94 48.76 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.611 1.164 . . . . 0.0 112.362 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.0 mt -80.94 153.4 27.55 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.664 1.585 . . . . 0.0 109.14 168.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -126.06 151.35 47.27 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.224 1.01 . . . . 0.0 113.35 177.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.3 t -68.78 133.36 90.43 Favored Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 125.439 1.496 . . . . 0.0 111.267 173.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -84.91 -8.17 9.19 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 124.222 3.281 . . . . 0.0 114.052 -176.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.0 m -71.61 133.77 45.94 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.802 0.841 . . . . 0.0 111.185 -175.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -70.59 -24.62 62.79 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.536 1.31 . . . . 0.0 114.536 -170.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.96 8.49 76.05 Favored Glycine 0 CA--C 1.539 1.59 0 C-N-CA 125.077 1.323 . . . . 0.0 114.808 172.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.2 t -128.9 158.04 39.9 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.788 2.035 . . . . 0.0 112.033 -169.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -145.26 16.22 1.51 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.456 1.503 . . . . 0.0 112.855 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -62.26 144.38 55.66 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.741 1.216 . . . . 0.0 112.733 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.6 p -141.52 151.27 43.13 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.089 1.356 . . . . 0.0 112.998 175.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 t -160.04 147.71 12.9 Favored Pre-proline 0 N--CA 1.476 0.85 0 C-N-CA 124.71 1.204 . . . . 0.0 111.964 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -76.33 -7.42 17.94 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 122.626 2.217 . . . . 0.0 113.684 173.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -114.79 129.85 56.76 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.387 1.075 . . . . 0.0 113.439 -172.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -68.87 -30.89 69.49 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -78.28 -35.23 48.28 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.976 0.807 . . . . 0.0 111.195 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.93 -38.16 89.91 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 118.486 0.585 . . . . 0.0 111.231 169.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 45.9 tp -65.38 -45.59 83.46 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 118.596 -0.716 . . . . 0.0 111.846 173.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -56.11 -43.88 78.56 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 120.021 1.282 . . . . 0.0 112.454 174.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.85 -15.44 61.87 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 173.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -97.9 -30.0 12.99 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.551 1.54 . . . . 0.0 113.27 169.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.53 -34.61 78.66 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 119.672 -1.893 . . . . 0.0 112.008 176.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -60.98 -24.14 65.89 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 176.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.6 t -62.94 -31.46 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 126.252 1.821 . . . . 0.0 111.52 175.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -92.36 -28.04 17.16 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.629 1.172 . . . . 0.0 113.954 -176.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 t -85.71 -17.53 35.66 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.89 152.86 38.62 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.59 1.156 . . . . 0.0 112.968 175.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.2 tp -122.81 38.12 4.25 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.833 1.653 . . . . 0.0 112.009 -174.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.253 1.243 0 C-N-CA 126.464 1.906 . . . . 0.0 112.706 -179.139 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.545 0 N-CA-C 111.551 -0.619 . . . . 0.0 111.551 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.8 p -65.98 -17.58 64.77 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -174.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 m -74.29 -11.52 60.29 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.961 1.304 . . . . 0.0 113.916 173.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.71 173.28 49.98 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 124.82 1.2 . . . . 0.0 114.483 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.0 m -65.02 149.59 49.58 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.693 1.197 . . . . 0.0 113.022 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.0 p -78.97 -24.43 43.83 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.96 149.93 45.24 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.389 0.995 . . . . 0.0 113.295 174.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.4 pt -132.67 156.99 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.6 1.56 . . . . 0.0 112.07 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.2 mp -75.47 141.32 43.13 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.985 0.914 . . . . 0.0 111.956 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.6 mt -74.77 151.44 39.12 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.608 1.563 . . . . 0.0 109.079 168.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -133.43 145.52 50.35 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.827 0.851 . . . . 0.0 112.506 -168.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.0 t -70.62 129.43 90.02 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 124.175 0.99 . . . . 0.0 111.14 176.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -83.55 -6.36 10.81 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 124.191 3.261 . . . . 0.0 113.415 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.0 m -72.95 139.63 46.89 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.087 0.955 . . . . 0.0 112.055 -169.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -61.97 133.25 55.13 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.527 -0.733 . . . . 0.0 112.178 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.16 -4.45 47.55 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 124.681 1.134 . . . . 0.0 115.65 -177.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.5 t -85.51 157.19 20.49 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.187 1.395 . . . . 0.0 111.766 175.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -138.19 8.65 2.71 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.748 1.619 . . . . 0.0 112.834 -175.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -72.11 141.22 49.18 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.651 1.18 . . . . 0.0 113.478 -174.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.2 p -145.36 154.28 42.13 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.082 1.353 . . . . 0.0 112.818 172.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.8 t -159.4 148.12 14.01 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 124.877 1.271 . . . . 0.0 112.052 -176.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -76.26 -8.72 18.77 Favored 'Trans proline' 0 CA--C 1.545 1.062 0 C-N-CA 122.634 2.223 . . . . 0.0 113.835 174.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -111.58 128.61 56.09 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 119.635 1.107 . . . . 0.0 113.077 -174.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -55.39 -42.52 74.13 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.059 1.344 . . . . 0.0 112.783 174.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -77.37 -29.3 53.25 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 121.784 -0.572 . . . . 0.0 112.293 -174.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -64.85 -40.18 94.74 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.215 1.006 . . . . 0.0 110.745 169.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.9 tp -66.74 -42.79 85.68 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.001 0.52 . . . . 0.0 111.815 175.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -58.32 -44.43 88.64 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.138 0.881 . . . . 0.0 112.101 173.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.18 -31.3 72.41 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.742 0.817 . . . . 0.0 113.161 173.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -75.87 -38.62 57.74 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.324 -0.86 . . . . 0.0 112.848 173.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 84.2 mt -58.3 -32.24 68.26 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 120.304 1.411 . . . . 0.0 112.171 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.88 -22.7 65.77 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.593 1.157 . . . . 0.0 113.83 173.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -28.73 45.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 119.438 1.017 . . . . 0.0 111.989 176.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -86.19 -28.24 24.02 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.543 1.137 . . . . 0.0 112.818 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.5 p -88.7 -34.29 17.25 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.918 0.887 . . . . 0.0 113.007 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.35 -12.46 61.13 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 176.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.6 tp -68.13 -24.22 64.99 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.026 1.33 . . . . 0.0 112.84 173.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.4 t0 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 127.427 2.291 . . . . 0.0 115.007 178.81 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 112.096 -0.402 . . . . 0.0 112.096 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -79.35 48.7 0.91 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.776 1.631 . . . . 0.0 113.306 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 m -80.71 50.21 1.3 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.576 1.95 . . . . 0.0 113.439 -169.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.08 -163.92 54.3 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.85 1.214 . . . . 0.0 113.883 -174.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.8 m -65.8 141.51 58.28 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.551 1.14 . . . . 0.0 113.059 -176.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 p -93.17 -10.96 33.97 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.217 1.407 . . . . 0.0 114.784 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.16 154.69 53.18 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.511 1.053 . . . . 0.0 113.888 178.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.3 pt -90.5 147.02 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 125.009 1.324 . . . . 0.0 112.257 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 mp -97.13 150.9 20.33 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.873 1.669 . . . . 0.0 112.268 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.5 mt -82.01 152.77 26.52 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.438 1.495 . . . . 0.0 108.774 167.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -124.37 147.8 47.98 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.5 1.12 . . . . 0.0 112.452 -175.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.0 t -67.79 133.39 92.31 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 124.46 1.104 . . . . 0.0 111.6 176.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -79.82 -8.91 14.54 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 123.82 3.013 . . . . 0.0 113.888 -177.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.9 m -75.49 130.99 39.79 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.004 0.82 . . . . 0.0 111.316 -176.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.88 -32.74 74.21 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -171.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.28 0.29 89.05 Favored Glycine 0 CA--C 1.54 1.611 0 C-N-CA 124.732 1.158 . . . . 0.0 115.113 175.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.6 t -101.45 166.89 10.49 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.109 1.764 . . . . 0.0 112.681 -173.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -140.82 6.03 2.0 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.151 1.781 . . . . 0.0 112.903 -177.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -74.02 143.08 45.69 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.7 1.2 . . . . 0.0 113.734 -173.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.1 p -145.24 153.86 41.76 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.354 1.461 . . . . 0.0 112.472 171.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 t -159.39 147.8 13.76 Favored Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 124.799 1.24 . . . . 0.0 112.006 -178.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -75.47 -9.21 20.04 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 122.604 2.202 . . . . 0.0 114.131 175.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -112.64 125.14 53.97 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.94 1.245 . . . . 0.0 113.172 -175.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.437 ' H ' ' HD3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -55.23 -35.26 64.74 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.894 1.278 . . . . 0.0 113.35 171.379 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -71.24 -38.12 71.95 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.151 0.887 . . . . 0.0 112.066 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -38.33 86.73 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.725 1.21 . . . . 0.0 110.411 176.508 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.1 tp -64.95 -48.21 74.9 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.448 0.699 . . . . 0.0 111.81 174.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -57.98 -42.53 85.28 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.402 1.001 . . . . 0.0 112.049 175.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.89 -27.88 69.67 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 173.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -80.61 -34.07 35.4 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.222 1.009 . . . . 0.0 113.063 172.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.6 mt -58.29 -31.96 67.99 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 120.657 1.571 . . . . 0.0 112.138 176.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -56.64 -27.35 58.27 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.883 1.273 . . . . 0.0 113.502 172.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.98 -23.14 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 124.523 1.129 . . . . 0.0 112.511 177.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -96.87 -30.83 12.91 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.039 1.336 . . . . 0.0 113.125 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.6 p -83.68 -29.72 27.38 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.23 143.29 41.09 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.718 0.807 . . . . 0.0 111.752 170.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.2 mt -121.67 3.2 10.12 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.182 1.393 . . . . 0.0 113.79 -176.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--O 1.253 1.256 0 C-N-CA 126.45 1.9 . . . . 0.0 112.62 -179.234 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.693 0 N-CA-C 111.949 -0.461 . . . . 0.0 111.949 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 t -148.77 150.32 32.89 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.044 1.338 . . . . 0.0 111.825 178.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.8 p -84.76 -8.25 58.9 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.285 1.434 . . . . 0.0 113.562 171.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.51 140.81 41.52 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.386 0.993 . . . . 0.0 113.597 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 t -155.01 164.34 39.04 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.587 1.555 . . . . 0.0 111.407 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 m -68.9 -15.36 63.47 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.868 1.267 . . . . 0.0 113.79 176.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.03 -178.48 46.8 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 125.335 1.445 . . . . 0.0 113.086 176.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.0 pt -127.75 149.61 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 125.463 1.505 . . . . 0.0 111.158 176.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 mp -88.11 140.46 29.46 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.984 0.897 . . . . 0.0 112.687 -175.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.7 mt -93.6 153.51 18.36 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 127.441 2.296 . . . . 0.0 108.912 168.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -123.75 147.46 47.48 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.414 1.086 . . . . 0.0 112.447 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.6 t -68.7 130.66 91.69 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 124.39 1.076 . . . . 0.0 110.692 171.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -84.15 -6.5 10.25 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 124.144 3.229 . . . . 0.0 113.674 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.3 m -75.58 138.89 41.76 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.776 0.83 . . . . 0.0 112.137 -169.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -62.63 134.0 55.7 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.551 0.74 . . . . 0.0 112.092 177.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.66 -5.84 43.5 Favored Glycine 0 CA--C 1.541 1.675 0 C-N-CA 124.683 1.135 . . . . 0.0 115.54 -176.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.8 t -91.11 151.74 20.88 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.47 1.508 . . . . 0.0 111.285 173.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -135.73 10.49 3.39 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.634 1.574 . . . . 0.0 112.926 -173.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -70.45 141.53 52.06 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.01 1.324 . . . . 0.0 113.23 -175.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.0 p -145.56 151.52 38.26 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.257 1.423 . . . . 0.0 112.646 173.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -160.54 146.43 11.43 Favored Pre-proline 0 N--CA 1.478 0.973 0 C-N-CA 124.705 1.202 . . . . 0.0 111.969 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -76.3 -9.02 18.89 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 122.828 2.352 . . . . 0.0 113.334 172.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -103.69 113.06 26.29 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.111 1.364 . . . . 0.0 112.35 -174.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -59.3 -35.33 73.59 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 121.225 -0.922 . . . . 0.0 113.42 178.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -71.7 -32.09 67.45 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.796 0.838 . . . . 0.0 112.498 178.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -73.22 -35.25 66.28 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.789 0.835 . . . . 0.0 111.47 172.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.0 tp -64.54 -45.31 87.7 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 118.918 -0.563 . . . . 0.0 111.712 170.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -55.08 -45.12 75.35 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.556 1.071 . . . . 0.0 112.318 173.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.15 -19.04 65.79 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 174.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -93.44 -31.24 14.68 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.547 1.539 . . . . 0.0 112.923 172.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.65 -36.21 82.1 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 119.884 -1.76 . . . . 0.0 111.874 177.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -61.79 -23.83 66.46 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.45 -27.31 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 125.563 1.545 . . . . 0.0 111.31 175.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -95.35 -9.95 31.48 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.376 1.471 . . . . 0.0 114.36 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 79.9 p -119.46 -21.92 7.22 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -175.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.37 148.45 50.68 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.937 0.895 . . . . 0.0 112.518 175.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -153.96 158.23 40.33 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.419 1.887 . . . . 0.0 110.815 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.253 1.244 0 C-N-CA 126.804 2.042 . . . . 0.0 112.644 178.197 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 N-CA-C 111.953 -0.459 . . . . 0.0 111.953 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.3 t -148.84 149.5 31.41 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.069 1.348 . . . . 0.0 111.954 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.1 m -83.05 -2.85 56.41 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.941 1.296 . . . . 0.0 113.453 172.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.34 20.03 77.57 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.383 0.992 . . . . 0.0 114.412 -177.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -63.62 153.24 36.57 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.6 1.56 . . . . 0.0 113.468 -176.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.7 p -73.27 -12.32 60.81 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.62 169.15 37.79 Favored Glycine 0 CA--C 1.533 1.207 0 C-N-CA 126.078 1.799 . . . . 0.0 112.256 174.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.5 pt -81.29 148.0 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 124.59 1.156 . . . . 0.0 112.09 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.6 mp -89.57 145.85 24.98 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.079 1.352 . . . . 0.0 112.154 177.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.2 mt -87.66 152.31 22.26 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.176 1.79 . . . . 0.0 108.548 168.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -126.04 152.47 45.75 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 176.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.5 t -67.86 132.99 92.21 Favored Pre-proline 0 CA--C 1.556 1.184 0 C-N-CA 125.467 1.507 . . . . 0.0 111.429 173.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -87.62 -12.33 4.53 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 124.139 3.226 . . . . 0.0 114.028 -176.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.9 m -69.77 142.76 53.16 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.928 0.891 . . . . 0.0 112.411 -171.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.62 134.46 57.09 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.681 0.793 . . . . 0.0 112.424 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.31 -3.53 52.83 Favored Glycine 0 CA--C 1.541 1.666 0 C-N-CA 124.644 1.116 . . . . 0.0 115.465 -176.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.9 t -100.21 147.42 25.74 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.927 1.691 . . . . 0.0 111.237 176.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -144.08 24.78 1.62 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.165 1.386 . . . . 0.0 112.457 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -60.1 142.63 53.87 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.339 1.056 . . . . 0.0 111.495 173.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.5 p -142.79 150.63 40.25 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.505 1.122 . . . . 0.0 113.541 178.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -161.54 148.05 11.27 Favored Pre-proline 0 N--CA 1.476 0.845 0 C-N-CA 125.147 1.379 . . . . 0.0 111.427 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -76.58 -6.94 17.44 Favored 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 122.642 2.228 . . . . 0.0 113.39 172.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -107.87 121.66 45.21 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.653 1.181 . . . . 0.0 112.691 -173.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -61.4 -26.51 67.9 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 176.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -85.2 -31.76 23.03 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.853 0.861 . . . . 0.0 112.176 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -68.5 -35.29 77.31 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 121.761 -0.587 . . . . 0.0 111.051 169.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.1 tp -65.41 -45.22 84.79 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 118.985 -0.531 . . . . 0.0 111.771 172.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -57.46 -43.88 84.36 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.279 0.945 . . . . 0.0 112.333 173.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.62 -20.47 65.7 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 173.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -90.23 -38.46 13.43 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.117 0.967 . . . . 0.0 112.637 169.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 71.6 mt -58.17 -35.39 71.51 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.389 -1.444 . . . . 0.0 112.407 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -59.32 -22.19 60.88 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 173.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.75 -23.24 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 124.141 0.977 . . . . 0.0 112.098 173.033 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -102.17 -39.93 7.03 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.889 1.676 . . . . 0.0 112.738 175.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.9 p -95.23 -12.75 25.75 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -169.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.61 164.67 20.72 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.861 1.265 . . . . 0.0 113.155 -178.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.7 tp -149.26 138.8 21.68 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.173 1.789 . . . . 0.0 110.019 178.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 . . . . . 0 C--O 1.252 1.227 0 C-N-CA 126.374 1.87 . . . . 0.0 113.317 178.504 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.64 0 N-CA-C 111.653 -0.579 . . . . 0.0 111.653 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 m -79.62 37.7 0.35 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.744 1.618 . . . . 0.0 114.279 -173.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 m -75.82 -15.65 60.21 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.305 1.442 . . . . 0.0 114.562 -172.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.05 179.72 43.86 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 124.873 1.225 . . . . 0.0 114.285 -176.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.2 p -85.39 158.04 20.35 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.274 1.429 . . . . 0.0 113.201 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.2 m -75.65 147.89 39.13 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.457 1.103 . . . . 0.0 112.719 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.14 -158.06 52.2 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.147 0.879 . . . . 0.0 114.151 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.3 pt -133.1 151.82 34.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.68 1.592 . . . . 0.0 111.735 177.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 mp -88.74 146.06 25.26 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.429 1.092 . . . . 0.0 112.111 176.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.6 mt -85.62 153.06 22.64 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.06 1.744 . . . . 0.0 108.9 168.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -125.67 146.41 49.74 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.499 1.12 . . . . 0.0 112.346 -175.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.5 t -69.51 132.81 89.2 Favored Pre-proline 0 CA--C 1.555 1.145 0 C-N-CA 124.499 1.12 . . . . 0.0 110.781 173.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -81.07 -12.93 11.64 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 123.833 3.022 . . . . 0.0 114.05 -174.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 96.3 m -69.99 132.11 45.42 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.902 0.881 . . . . 0.0 111.557 -175.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.41 -32.36 73.7 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -171.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.82 -0.57 89.56 Favored Glycine 0 CA--C 1.54 1.626 0 C-N-CA 124.845 1.212 . . . . 0.0 115.165 174.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.7 t -101.39 165.35 11.31 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.189 1.796 . . . . 0.0 112.499 -175.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -140.89 6.88 2.03 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.954 1.702 . . . . 0.0 112.796 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -75.49 140.9 43.1 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.699 1.2 . . . . 0.0 113.593 -172.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.5 p -145.28 152.35 39.78 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.476 1.51 . . . . 0.0 112.529 172.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.4 t -159.78 147.12 12.75 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 124.731 1.213 . . . . 0.0 111.827 -177.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -75.52 -7.26 18.55 Favored 'Trans proline' 0 CA--C 1.543 0.939 0 C-N-CA 122.726 2.284 . . . . 0.0 114.215 176.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -114.82 131.77 56.71 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.584 1.084 . . . . 0.0 113.514 -173.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -70.03 -25.98 63.83 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -84.21 -34.99 23.81 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.846 0.858 . . . . 0.0 111.034 176.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -61.92 -35.65 79.01 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 118.504 0.593 . . . . 0.0 111.541 169.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.3 tp -68.11 -46.9 69.65 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 118.761 -0.638 . . . . 0.0 111.79 173.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -56.65 -41.99 78.15 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.662 1.119 . . . . 0.0 112.701 175.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.74 -17.24 62.83 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 124.825 1.25 . . . . 0.0 114.25 172.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -95.6 -37.98 10.6 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.602 1.161 . . . . 0.0 112.855 169.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.8 mt -56.42 -35.64 68.04 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 120.548 1.522 . . . . 0.0 112.451 -178.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -59.55 -23.42 62.85 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 175.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -24.5 36.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.167 0.987 . . . . 0.0 112.191 176.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -92.79 -8.22 44.26 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.325 1.45 . . . . 0.0 113.95 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 76.5 p -124.16 -37.64 2.54 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -175.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.62 -24.2 18.0 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.956 1.302 . . . . 0.0 113.395 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 60.69 -20.73 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 129.211 3.005 . . . . 0.0 117.065 177.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 C--O 1.254 1.337 0 C-N-CA 126.812 2.045 . . . . 0.0 112.869 179.528 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.651 0 N-CA-C 111.996 -0.442 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -148.47 161.86 40.78 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.214 1.405 . . . . 0.0 111.767 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 m -140.76 153.89 46.06 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.795 1.638 . . . . 0.0 112.083 -175.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.87 21.12 79.99 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 123.934 0.778 . . . . 0.0 114.959 178.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -61.76 148.41 43.08 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.335 1.454 . . . . 0.0 113.655 -175.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 m -67.28 159.96 28.1 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.84 1.256 . . . . 0.0 113.097 177.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.74 36.47 42.51 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 123.678 0.656 . . . . 0.0 114.273 177.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 67.9 mt -57.26 132.89 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 125.623 1.569 . . . . 0.0 110.437 -178.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 mp -68.89 145.57 53.56 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.862 1.265 . . . . 0.0 113.19 -172.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.8 mt -86.52 153.31 21.94 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.636 1.974 . . . . 0.0 109.819 168.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.75 141.48 51.15 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.149 1.38 . . . . 0.0 111.665 -176.383 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.1 t -59.05 130.19 86.5 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 124.543 1.137 . . . . 0.0 111.449 171.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -79.11 -6.81 15.09 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.871 3.047 . . . . 0.0 113.494 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.7 m -76.32 138.04 40.24 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.667 0.787 . . . . 0.0 111.581 -174.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -61.59 129.89 43.27 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.609 0.764 . . . . 0.0 112.168 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.99 -3.14 47.34 Favored Glycine 0 CA--C 1.54 1.651 0 C-N-CA 124.697 1.142 . . . . 0.0 115.906 -178.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.5 t -87.36 126.52 34.91 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 119.184 1.492 . . . . 0.0 110.9 177.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -99.37 1.41 44.32 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.639 1.576 . . . . 0.0 114.103 -172.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -63.3 137.45 58.19 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 124.274 1.03 . . . . 0.0 113.251 -175.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.1 p -144.86 151.17 38.33 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.845 1.258 . . . . 0.0 112.589 173.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.4 t -158.64 146.9 13.88 Favored Pre-proline 0 N--CA 1.477 0.888 0 C-N-CA 124.833 1.253 . . . . 0.0 111.806 -177.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -76.01 -8.58 18.99 Favored 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 122.614 2.21 . . . . 0.0 113.09 172.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -107.4 117.6 34.52 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.194 1.398 . . . . 0.0 113.061 -172.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.95 -47.0 71.76 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.716 1.607 . . . . 0.0 112.626 177.521 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -72.79 -28.97 62.9 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -177.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -71.12 -35.18 71.66 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 121.659 -0.65 . . . . 0.0 111.615 170.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.4 tp -64.66 -45.52 86.38 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 118.841 -0.6 . . . . 0.0 111.618 170.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -57.47 -42.19 82.11 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.496 1.043 . . . . 0.0 112.144 174.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.91 -13.48 59.77 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 172.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -97.15 -29.64 13.48 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.726 1.61 . . . . 0.0 113.0 170.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.16 -37.17 81.93 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 119.924 -1.735 . . . . 0.0 112.191 176.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -62.64 -21.31 65.58 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.1 t -62.37 -31.14 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.747 1.619 . . . . 0.0 111.045 173.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -92.24 -28.25 17.12 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.776 1.23 . . . . 0.0 113.434 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.3 p -82.19 -30.66 30.79 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.815 0.734 . . . . 0.0 112.655 175.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 52.5 38.21 24.98 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.387 1.875 . . . . 0.0 114.502 175.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.4 mt -85.94 114.62 22.99 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.436 1.494 . . . . 0.0 110.498 -178.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 C--O 1.254 1.338 0 C-N-CA 127.393 2.277 . . . . 0.0 112.781 177.142 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 N-CA-C 111.621 -0.592 . . . . 0.0 111.621 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -75.39 165.47 25.1 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.209 1.004 . . . . 0.0 112.611 177.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -62.3 145.59 53.34 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.155 1.382 . . . . 0.0 113.048 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.19 -15.9 76.86 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.111 0.862 . . . . 0.0 115.118 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.0 m -134.97 153.26 52.14 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.319 1.848 . . . . 0.0 111.364 177.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.5 m -67.31 147.97 52.28 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.335 1.054 . . . . 0.0 113.061 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.1 178.28 46.69 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.054 1.312 . . . . 0.0 112.892 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.7 mm -93.76 121.3 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.277 1.031 . . . . 0.0 110.107 178.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.8 mp -104.23 146.39 28.85 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.299 1.44 . . . . 0.0 112.051 177.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.1 mt -90.08 153.42 20.56 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.649 1.98 . . . . 0.0 109.258 169.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -124.54 148.8 47.56 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.128 0.971 . . . . 0.0 113.534 -176.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.3 t -66.48 132.01 94.22 Favored Pre-proline 0 CA--C 1.554 1.123 0 C-N-CA 124.775 1.23 . . . . 0.0 110.927 170.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -86.18 -13.14 5.51 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 123.896 3.064 . . . . 0.0 113.953 -176.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.6 m -71.78 141.28 49.72 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.793 0.837 . . . . 0.0 112.439 -169.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -60.63 134.2 56.84 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.622 0.769 . . . . 0.0 112.336 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.15 -4.72 53.64 Favored Glycine 0 CA--C 1.541 1.684 0 C-N-CA 124.675 1.131 . . . . 0.0 115.484 -175.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.8 t -99.36 147.81 24.84 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.816 1.646 . . . . 0.0 111.096 174.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -142.5 17.98 2.03 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.783 1.233 . . . . 0.0 113.086 -178.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -60.35 138.91 57.89 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.828 1.251 . . . . 0.0 112.09 176.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.9 p -138.57 151.63 47.47 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.604 1.161 . . . . 0.0 113.252 177.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -158.93 147.39 13.98 Favored Pre-proline 0 N--CA 1.476 0.857 0 C-N-CA 125.094 1.358 . . . . 0.0 111.095 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -74.67 -7.35 19.32 Favored 'Trans proline' 0 CA--C 1.545 1.052 0 C-N-CA 122.661 2.241 . . . . 0.0 113.811 174.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -110.65 130.12 55.65 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 119.567 1.076 . . . . 0.0 113.835 -174.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -56.79 -43.86 81.31 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.361 1.465 . . . . 0.0 113.231 176.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -81.49 -30.83 33.16 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.537 0.735 . . . . 0.0 111.638 -174.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.66 -37.45 87.4 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 118.6 0.636 . . . . 0.0 110.708 167.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.0 tp -66.42 -46.04 77.88 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-O 118.443 -0.789 . . . . 0.0 111.935 173.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -56.99 -42.44 80.27 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 119.837 1.199 . . . . 0.0 112.45 175.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.61 -24.0 66.4 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 173.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -88.57 -32.88 17.91 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.306 1.042 . . . . 0.0 113.082 170.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.7 mt -57.05 -35.17 69.01 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 121.447 1.93 . . . . 0.0 111.064 172.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -57.87 -21.45 43.02 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.163 1.385 . . . . 0.0 114.697 173.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 m -70.89 -21.97 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 120.34 1.427 . . . . 0.0 112.518 173.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -104.05 -37.98 7.13 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.861 1.664 . . . . 0.0 113.065 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.0 p -83.79 -10.14 58.29 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.557 1.318 . . . . 0.0 114.557 -175.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.33 80.24 2.41 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.598 1.159 . . . . 0.0 111.597 174.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.4 tp -143.96 131.08 20.63 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.299 1.839 . . . . 0.0 109.955 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 . . . . . 0 C--O 1.254 1.297 0 C-N-CA 125.819 1.648 . . . . 0.0 114.255 179.869 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -63.18 -19.66 64.7 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 -171.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -78.22 -8.6 58.52 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.904 1.282 . . . . 0.0 114.045 175.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.63 -171.47 36.66 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 125.003 1.287 . . . . 0.0 114.811 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.7 t -62.86 146.27 53.15 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.864 0.865 . . . . 0.0 112.146 177.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 m 55.8 22.62 5.68 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.717 1.607 . . . . 0.0 114.855 -170.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.04 -27.7 73.53 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.372 0.987 . . . . 0.0 113.941 176.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.3 mm -88.27 125.31 41.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 124.709 1.204 . . . . 0.0 108.624 169.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.6 mt -80.38 152.67 28.76 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -171.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.5 mt -80.57 152.47 28.59 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.109 1.363 . . . . 0.0 108.094 166.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -125.85 151.15 47.23 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.8 t -64.11 130.94 94.82 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 124.765 1.226 . . . . 0.0 111.407 172.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -82.8 -7.41 11.4 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 124.13 3.22 . . . . 0.0 113.409 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.4 m -74.06 140.58 45.45 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.836 0.854 . . . . 0.0 111.852 -171.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -64.87 139.88 58.81 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.285 -0.884 . . . . 0.0 112.298 176.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.15 -5.61 25.75 Favored Glycine 0 CA--C 1.544 1.866 0 C-N-CA 124.581 1.086 . . . . 0.0 115.592 -174.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.7 t -95.36 152.9 17.98 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.917 1.687 . . . . 0.0 111.378 176.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -141.68 16.15 2.16 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.103 1.361 . . . . 0.0 112.801 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -63.15 144.73 56.66 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.605 1.162 . . . . 0.0 112.672 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.7 p -143.79 149.38 36.97 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.109 1.364 . . . . 0.0 113.128 178.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.6 t -159.24 148.04 14.14 Favored Pre-proline 0 N--CA 1.478 0.962 0 C-N-CA 125.293 1.437 . . . . 0.0 111.357 -176.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -78.08 -6.64 15.92 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.296 1.997 . . . . 0.0 113.759 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -115.45 131.5 56.91 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.418 1.087 . . . . 0.0 113.593 -171.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -69.45 -24.59 63.83 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -86.53 -35.26 19.64 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.316 0.962 . . . . 0.0 111.325 176.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -61.78 -35.75 79.07 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 118.836 0.744 . . . . 0.0 111.343 169.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 55.3 tp -66.2 -48.69 69.82 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.334 0.654 . . . . 0.0 111.914 173.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -57.16 -41.24 78.84 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 118.881 0.764 . . . . 0.0 112.741 176.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.61 -28.51 69.67 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.219 1.008 . . . . 0.0 113.358 172.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -79.07 -31.15 44.32 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.208 -0.933 . . . . 0.0 112.859 170.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.8 mt -56.88 -27.53 60.63 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.935 1.698 . . . . 0.0 112.022 173.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -62.97 -30.09 71.31 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.727 1.211 . . . . 0.0 113.404 175.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.8 m -62.8 -26.61 41.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 119.907 1.231 . . . . 0.0 112.389 -175.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -84.66 4.98 29.94 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.625 1.57 . . . . 0.0 113.751 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.3 t -138.15 -35.92 0.61 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.894 1.277 . . . . 0.0 113.337 174.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.01 -16.62 60.61 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -178.226 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 75.1 mt -98.68 4.29 47.87 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.142 1.377 . . . . 0.0 113.67 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.254 1.302 0 C-N-CA 125.278 1.431 . . . . 0.0 113.829 178.539 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.587 0 N-CA-C 111.416 -0.674 . . . . 0.0 111.416 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -62.63 -20.91 65.25 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -171.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.4 m -77.29 -9.75 59.01 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.878 1.271 . . . . 0.0 114.06 176.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.36 160.04 53.97 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.586 1.089 . . . . 0.0 114.477 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.8 m -69.57 157.75 36.6 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.888 1.275 . . . . 0.0 113.202 178.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 t -140.51 156.53 46.3 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.178 1.391 . . . . 0.0 111.866 177.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.02 -163.75 37.41 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 125.302 1.429 . . . . 0.0 112.839 -176.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 32.8 pt -84.12 57.18 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-O 123.139 1.447 . . . . 0.0 113.028 -179.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.47 142.2 42.97 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.476 1.511 . . . . 0.0 112.097 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.9 mt -106.78 153.07 23.0 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.157 2.183 . . . . 0.0 108.497 168.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -127.33 150.82 49.42 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.367 1.067 . . . . 0.0 113.653 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.6 t -64.25 131.87 95.15 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 125.458 1.503 . . . . 0.0 111.42 173.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -83.05 -7.08 11.22 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 124.063 3.175 . . . . 0.0 113.568 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.2 m -74.66 140.65 44.38 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.695 0.798 . . . . 0.0 112.237 -170.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -61.42 133.89 56.28 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.462 -0.774 . . . . 0.0 112.165 177.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.13 -3.43 52.23 Favored Glycine 0 CA--C 1.542 1.721 0 C-N-CA 124.646 1.117 . . . . 0.0 115.488 -176.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.7 t -98.68 151.72 20.42 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.863 1.665 . . . . 0.0 111.089 176.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -141.47 10.73 2.08 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.929 1.292 . . . . 0.0 113.315 -178.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -56.33 141.73 40.63 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.053 1.341 . . . . 0.0 112.298 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.8 p -139.88 151.61 45.78 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 176.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 t -159.44 148.46 14.23 Favored Pre-proline 0 N--CA 1.475 0.819 0 C-N-CA 125.692 1.597 . . . . 0.0 110.795 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -75.99 -11.78 19.69 Favored 'Trans proline' 0 CA--C 1.546 1.08 0 C-N-CA 122.435 2.09 . . . . 0.0 113.117 172.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -102.35 120.19 40.08 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.893 1.277 . . . . 0.0 112.611 -174.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -62.04 -33.76 74.97 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 121.285 -0.884 . . . . 0.0 113.348 177.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -69.62 -41.7 75.31 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.688 0.795 . . . . 0.0 111.782 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -63.12 -38.5 91.44 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.091 1.357 . . . . 0.0 111.718 171.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.3 tp -65.27 -46.47 80.36 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 118.952 -0.547 . . . . 0.0 111.975 174.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -57.61 -42.4 83.2 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.233 0.924 . . . . 0.0 111.93 174.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.48 -26.98 68.17 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 173.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -78.21 -31.41 49.39 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 120.949 -1.094 . . . . 0.0 112.664 170.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.2 mt -56.32 -28.18 58.06 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 120.948 1.704 . . . . 0.0 111.968 173.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -63.07 -27.69 69.57 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.571 1.548 . . . . 0.0 113.754 174.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.3 m -65.3 -22.78 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 CA-C-N 119.956 1.253 . . . . 0.0 112.357 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -90.37 -0.5 57.67 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.177 1.391 . . . . 0.0 113.565 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.8 p -129.72 -34.4 1.76 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.972 1.309 . . . . 0.0 113.963 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.62 -17.28 19.59 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 -175.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.0 tp -110.5 54.16 0.68 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.474 1.509 . . . . 0.0 111.08 -178.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.5 t70 . . . . . 0 C--O 1.251 1.181 0 C-N-CA 126.552 1.941 . . . . 0.0 112.72 -178.28 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.58 0 N-CA-C 111.763 -0.535 . . . . 0.0 111.763 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.8 p -76.99 158.65 30.49 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.767 1.227 . . . . 0.0 113.298 178.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.7 m -71.41 153.39 42.32 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.832 1.253 . . . . 0.0 113.42 -177.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.57 -1.47 58.13 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 124.802 1.192 . . . . 0.0 115.453 177.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.7 p -62.35 -13.96 34.68 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.626 1.57 . . . . 0.0 114.805 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.6 m -64.81 -23.28 67.19 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.453 1.101 . . . . 0.0 113.595 170.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.43 138.5 2.55 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 124.566 1.079 . . . . 0.0 113.835 173.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.2 pt -137.52 155.43 31.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 126.358 1.863 . . . . 0.0 110.926 175.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.89 136.14 46.81 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.516 0.727 . . . . 0.0 110.777 174.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.0 mt -113.33 129.77 56.44 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.973 1.709 . . . . 0.0 109.509 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt -95.3 146.15 24.58 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.019 1.327 . . . . 0.0 113.501 -174.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.2 t -65.61 134.13 95.34 Favored Pre-proline 0 CA--C 1.554 1.104 0 C-N-CA 125.452 1.501 . . . . 0.0 111.292 169.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -67.62 -23.58 42.67 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 123.412 2.742 . . . . 0.0 114.676 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.9 m -70.12 132.53 45.97 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.937 0.895 . . . . 0.0 112.264 -171.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -65.65 132.94 50.03 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.669 0.788 . . . . 0.0 112.066 178.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.12 -0.48 58.82 Favored Glycine 0 CA--C 1.54 1.651 0 N-CA-C 115.749 1.06 . . . . 0.0 115.749 -178.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.5 t -79.03 -48.63 14.07 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.885 1.342 . . . . 0.0 112.357 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . 0.28 2.0 p30 51.4 9.06 0.06 Allowed 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 129.711 3.205 . . . . 0.0 117.427 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -56.81 142.14 41.91 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.544 1.537 . . . . 0.0 112.604 177.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 p -143.94 154.39 43.26 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 169.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 t -151.73 149.24 23.43 Favored Pre-proline 0 N--CA 1.472 0.656 0 C-N-CA 126.221 1.809 . . . . 0.0 110.338 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -76.38 -3.61 14.03 Favored 'Trans proline' 0 CA--C 1.544 0.975 0 C-N-CA 122.832 2.355 . . . . 0.0 114.238 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -116.09 130.58 56.87 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.498 1.119 . . . . 0.0 112.942 -175.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -69.17 -23.86 63.99 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 -178.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -87.05 -34.05 19.32 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.129 0.971 . . . . 0.0 111.477 176.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -62.83 -36.06 81.98 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 118.861 0.755 . . . . 0.0 111.599 169.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.1 tp -67.02 -45.29 77.96 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.29 0.496 . . . . 0.0 111.676 173.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -59.07 -42.16 89.72 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.138 0.881 . . . . 0.0 112.561 175.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.65 -29.19 69.91 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.041 0.936 . . . . 0.0 113.093 171.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -77.63 -34.76 53.19 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.657 0.783 . . . . 0.0 112.88 170.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 68.7 mt -56.7 -33.35 66.37 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.745 1.611 . . . . 0.0 112.185 176.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -60.25 -23.24 63.94 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.661 1.184 . . . . 0.0 113.874 174.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.08 -23.86 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.053 0.941 . . . . 0.0 112.305 176.228 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -91.53 -20.72 21.4 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.823 1.249 . . . . 0.0 113.385 178.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.7 p -92.92 -28.7 16.3 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.266 1.026 . . . . 0.0 112.994 175.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.91 156.41 39.3 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.452 1.101 . . . . 0.0 112.673 172.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.1 mt -140.64 146.06 37.42 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.684 1.994 . . . . 0.0 109.744 177.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.251 1.139 0 C-N-CA 126.663 1.985 . . . . 0.0 112.688 178.888 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.577 0 N-CA-C 112.142 -0.383 . . . . 0.0 112.142 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.5 m -135.25 155.25 50.96 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.428 1.491 . . . . 0.0 112.15 -176.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t -72.5 154.21 40.95 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.932 0.893 . . . . 0.0 112.378 176.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.24 175.11 47.27 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 125.063 1.316 . . . . 0.0 113.45 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 m -73.38 142.53 46.98 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.515 1.126 . . . . 0.0 112.847 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -140.8 152.15 44.96 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.649 1.58 . . . . 0.0 111.842 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.02 17.37 73.61 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.124 0.869 . . . . 0.0 115.099 178.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.8 mm -72.7 139.3 19.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.264 1.425 . . . . 0.0 110.592 -176.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.57 130.36 42.92 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.958 1.303 . . . . 0.0 111.779 -178.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.2 mt -89.85 150.08 22.38 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.141 1.776 . . . . 0.0 108.395 168.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -126.72 147.38 49.97 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.152 0.981 . . . . 0.0 112.664 -172.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.9 t -67.98 132.17 92.18 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 124.331 1.052 . . . . 0.0 111.178 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -80.19 -8.84 14.09 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.99 3.127 . . . . 0.0 113.888 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.1 m -74.16 129.73 38.4 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.793 0.837 . . . . 0.0 111.101 -177.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.83 -31.2 71.66 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -172.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.56 3.43 82.53 Favored Glycine 0 CA--C 1.539 1.565 0 C-N-CA 125.037 1.303 . . . . 0.0 115.28 174.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.5 t -108.99 160.07 16.31 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.192 1.797 . . . . 0.0 112.319 -174.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -132.45 4.35 3.97 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.264 1.826 . . . . 0.0 113.011 -177.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -72.63 141.16 48.32 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.581 1.152 . . . . 0.0 113.801 -172.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.1 p -145.06 153.7 41.72 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.437 1.495 . . . . 0.0 112.542 171.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -160.18 148.41 13.25 Favored Pre-proline 0 N--CA 1.477 0.908 0 C-N-CA 125.209 1.404 . . . . 0.0 111.408 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -75.81 -7.89 18.74 Favored 'Trans proline' 0 CA--C 1.547 1.135 0 C-N-CA 122.412 2.075 . . . . 0.0 113.3 173.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -108.21 121.12 44.21 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.608 1.163 . . . . 0.0 113.108 -172.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -64.28 -24.54 67.7 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 176.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -84.93 -26.49 27.2 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.468 -0.77 . . . . 0.0 112.472 177.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -73.87 -40.32 63.32 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.645 -0.659 . . . . 0.0 110.441 169.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.6 tp -64.66 -49.24 71.77 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 118.573 -0.727 . . . . 0.0 112.379 176.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -60.88 -33.06 72.52 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.775 1.17 . . . . 0.0 112.508 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.84 -28.48 61.62 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 175.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -76.84 -31.63 57.01 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.447 1.099 . . . . 0.0 112.841 171.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.0 mt -55.22 -31.46 61.49 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 121.064 1.756 . . . . 0.0 112.159 175.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -66.08 -24.72 66.76 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.398 1.479 . . . . 0.0 113.89 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.3 m -63.53 -26.84 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 120.012 1.278 . . . . 0.0 112.262 -178.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -82.52 1.07 39.63 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.66 1.584 . . . . 0.0 113.872 -177.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.3 p -77.95 -10.14 59.44 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.044 0.937 . . . . 0.0 112.845 169.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.16 -175.72 4.43 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.705 2.002 . . . . 0.0 111.586 -178.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.9 mt 62.72 10.13 4.01 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 126.716 2.006 . . . . 0.0 116.134 174.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.8 t70 . . . . . 0 C--O 1.252 1.195 0 C-N-CA 126.523 1.929 . . . . 0.0 112.419 177.379 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 CA--C 1.539 0.548 0 CA-C-O 121.529 0.68 . . . . 0.0 111.918 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.1 mt -103.87 147.19 27.61 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 127.062 2.145 . . . . 0.0 108.338 168.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -122.17 147.83 45.68 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.187 0.995 . . . . 0.0 112.569 -171.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.2 t -66.75 130.86 94.0 Favored Pre-proline 0 CA--C 1.552 1.04 0 C-N-CA 124.216 1.006 . . . . 0.0 111.219 174.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -81.46 -7.34 12.75 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.938 3.092 . . . . 0.0 113.577 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.0 m -77.93 139.51 39.21 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.832 0.853 . . . . 0.0 112.259 -169.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -63.17 136.61 57.85 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.683 0.793 . . . . 0.0 112.085 177.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.55 -5.61 36.21 Favored Glycine 0 CA--C 1.54 1.653 0 C-N-CA 124.695 1.14 . . . . 0.0 115.676 -177.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.9 t -84.41 156.98 21.55 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.267 1.427 . . . . 0.0 111.667 174.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -135.17 6.69 3.35 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.926 1.69 . . . . 0.0 112.913 -175.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -72.54 140.56 48.21 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.633 1.173 . . . . 0.0 113.394 -174.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.9 p -145.37 154.43 42.29 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.893 1.277 . . . . 0.0 112.453 170.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.6 t -158.32 147.97 15.12 Favored Pre-proline 0 N--CA 1.476 0.861 0 C-N-CA 125.158 1.383 . . . . 0.0 111.407 -177.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -76.15 -5.8 16.62 Favored 'Trans proline' 0 CA--C 1.546 1.099 0 C-N-CA 122.563 2.175 . . . . 0.0 113.763 175.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -112.35 128.9 56.42 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.263 1.025 . . . . 0.0 113.523 -174.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.0 ptmt -64.94 -32.96 74.93 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -82.55 -33.26 28.22 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.065 0.946 . . . . 0.0 111.556 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -63.06 -37.45 87.26 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.668 0.667 . . . . 0.0 111.083 168.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.8 tp -65.48 -46.69 78.79 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 118.872 -0.585 . . . . 0.0 111.99 173.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -57.83 -42.81 85.12 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.411 1.005 . . . . 0.0 112.089 174.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.05 -26.73 68.98 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 173.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -79.57 -34.81 40.57 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.72 0.808 . . . . 0.0 112.833 170.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 42.7 mt -58.23 -33.08 68.95 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 120.761 1.619 . . . . 0.0 111.982 175.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -58.93 -22.59 60.17 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.779 1.232 . . . . 0.0 113.868 173.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.93 -20.8 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.404 1.082 . . . . 0.0 112.641 174.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 . . . . . 0 CA--C 1.539 0.545 0 C-N-CA 125.312 1.445 . . . . 0.0 112.635 177.88 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 CA--C 1.538 0.514 0 CA-C-O 121.156 0.503 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.9 mt -93.09 151.65 19.74 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.756 1.622 . . . . 0.0 108.599 168.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -128.39 150.32 50.16 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.186 0.994 . . . . 0.0 113.379 -177.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.3 t -69.96 133.21 88.15 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 125.255 1.422 . . . . 0.0 111.621 174.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -86.35 -13.69 5.11 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 124.037 3.158 . . . . 0.0 114.022 -176.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 37.8 m -71.23 142.0 50.6 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.078 0.951 . . . . 0.0 112.229 -171.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -64.58 141.59 58.72 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.373 -0.829 . . . . 0.0 112.72 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.93 -6.68 25.56 Favored Glycine 0 CA--C 1.541 1.695 0 C-N-CA 124.504 1.05 . . . . 0.0 115.408 -174.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.8 t -97.39 153.56 18.01 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.073 1.749 . . . . 0.0 111.329 175.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -142.68 12.15 1.88 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.08 1.352 . . . . 0.0 113.144 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -56.8 143.91 35.09 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.862 1.265 . . . . 0.0 112.609 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 93.9 p -142.46 151.22 41.51 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.473 1.109 . . . . 0.0 113.313 176.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.7 t -160.74 148.66 12.71 Favored Pre-proline 0 N--CA 1.476 0.853 0 C-N-CA 125.032 1.333 . . . . 0.0 111.802 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -77.33 -9.54 17.58 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 122.51 2.14 . . . . 0.0 113.69 175.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -111.22 129.88 55.82 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.487 1.04 . . . . 0.0 113.258 -173.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -65.31 -32.75 74.57 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -77.59 -32.26 53.55 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.025 0.83 . . . . 0.0 111.753 178.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -64.25 -39.45 93.98 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.155 0.582 . . . . 0.0 111.083 169.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 42.8 tp -66.17 -44.47 83.94 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 118.782 -0.628 . . . . 0.0 111.845 174.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -57.79 -43.42 85.62 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.596 1.089 . . . . 0.0 112.036 173.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.19 -28.19 69.5 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 173.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -79.99 -36.59 35.76 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.62 0.768 . . . . 0.0 113.047 171.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.09 -32.69 70.03 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 120.233 -1.542 . . . . 0.0 111.847 176.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.34 -17.1 57.99 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 173.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.3 -25.44 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.992 0.917 . . . . 0.0 112.108 172.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 . . . . . 0 CA--C 1.539 0.555 0 C-N-CA 125.012 1.325 . . . . 0.0 113.501 -178.647 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 CA--C 1.539 0.543 0 CA-C-O 121.608 0.718 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.2 mt -81.09 152.3 27.91 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.289 1.435 . . . . 0.0 109.005 168.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -130.4 146.7 52.01 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.33 1.052 . . . . 0.0 112.348 -173.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.2 t -70.53 129.38 90.19 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 124.293 1.037 . . . . 0.0 110.575 172.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -85.0 -5.86 9.58 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 124.025 3.15 . . . . 0.0 113.476 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.1 m -74.15 140.39 45.15 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.96 0.904 . . . . 0.0 112.377 -169.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -62.0 134.22 56.35 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.445 -0.785 . . . . 0.0 112.235 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.28 -5.42 43.21 Favored Glycine 0 CA--C 1.54 1.638 0 C-N-CA 124.696 1.141 . . . . 0.0 115.601 -176.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.3 t -86.66 156.42 20.0 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.211 1.404 . . . . 0.0 111.659 174.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -138.2 9.12 2.73 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.843 1.657 . . . . 0.0 112.817 -175.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -72.61 139.76 47.6 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.678 1.191 . . . . 0.0 113.298 -174.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.6 p -145.05 153.47 41.49 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.47 1.508 . . . . 0.0 112.491 172.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 t -160.31 148.2 12.92 Favored Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 124.683 1.193 . . . . 0.0 111.933 -177.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -75.42 -7.99 19.22 Favored 'Trans proline' 0 CA--C 1.544 1.006 0 C-N-CA 122.569 2.179 . . . . 0.0 113.841 174.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -113.25 131.83 55.76 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -172.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.91 -42.65 99.33 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.622 1.169 . . . . 0.0 113.206 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -76.6 -32.52 58.13 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.832 0.853 . . . . 0.0 111.744 -177.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -63.69 -38.37 90.87 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 118.691 0.678 . . . . 0.0 111.376 169.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.6 tp -66.18 -45.07 82.15 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 118.784 -0.627 . . . . 0.0 111.861 173.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -56.08 -43.18 77.75 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.614 1.097 . . . . 0.0 112.278 173.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.39 -20.5 66.41 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 174.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -88.74 -40.32 13.31 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.975 0.91 . . . . 0.0 112.494 169.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.2 mt -57.83 -34.95 70.24 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.556 -1.34 . . . . 0.0 112.538 -177.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -59.38 -22.62 61.64 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 174.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.5 -23.49 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.311 1.045 . . . . 0.0 112.35 175.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 . . . . . 0 CA--C 1.546 0.818 0 C-N-CA 125.394 1.478 . . . . 0.0 113.825 178.935 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 CA--C 1.541 0.633 0 CA-C-O 121.313 0.578 . . . . 0.0 111.425 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.1 mt -76.39 152.93 36.11 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.205 1.002 . . . . 0.0 108.892 167.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -124.05 150.22 45.21 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 177.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.5 t -65.0 133.4 95.76 Favored Pre-proline 0 CA--C 1.553 1.079 0 C-N-CA 125.544 1.538 . . . . 0.0 111.773 172.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -84.65 -13.83 6.84 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 124.025 3.15 . . . . 0.0 114.122 -176.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.2 m -70.99 140.98 51.01 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.871 0.869 . . . . 0.0 112.388 -171.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -60.83 134.38 57.03 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.731 0.813 . . . . 0.0 112.339 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.12 -6.01 45.66 Favored Glycine 0 CA--C 1.541 1.678 0 C-N-CA 124.777 1.179 . . . . 0.0 115.484 -176.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.7 t -93.14 148.5 21.97 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.455 1.502 . . . . 0.0 111.11 174.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -141.07 20.0 2.28 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.14 1.376 . . . . 0.0 112.524 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -60.58 141.94 56.05 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.416 1.086 . . . . 0.0 111.745 175.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.0 p -139.55 152.41 46.87 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.389 1.076 . . . . 0.0 113.514 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -161.32 147.89 11.45 Favored Pre-proline 0 N--CA 1.475 0.808 0 C-N-CA 124.993 1.317 . . . . 0.0 111.142 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -78.57 -7.27 15.75 Favored 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 122.372 2.048 . . . . 0.0 114.025 177.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -114.01 130.95 56.51 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.695 1.134 . . . . 0.0 113.259 -175.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -31.81 73.17 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 177.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -74.07 -36.61 64.33 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.489 1.04 . . . . 0.0 111.597 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.67 -33.58 76.22 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.517 0.727 . . . . 0.0 111.503 172.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 45.9 tp -69.96 -46.57 64.95 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 118.968 -0.539 . . . . 0.0 111.727 173.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -55.7 -43.84 76.84 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 118.956 0.798 . . . . 0.0 112.142 174.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.47 -29.17 68.88 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.0 0.92 . . . . 0.0 113.447 173.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -80.82 -33.72 34.49 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 118.92 0.782 . . . . 0.0 112.891 171.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 76.6 mt -57.99 -33.7 69.18 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 120.667 1.576 . . . . 0.0 111.693 175.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -60.09 -21.82 61.99 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 173.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.17 -24.53 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 119.24 0.927 . . . . 0.0 112.016 173.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 . . . . . 0 CA--C 1.541 0.605 0 C-N-CA 125.242 1.417 . . . . 0.0 112.699 177.579 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.4 mt . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.0 mt -82.67 148.29 28.01 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.216 1.406 . . . . 0.0 108.579 167.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -115.98 148.98 39.53 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.621 1.169 . . . . 0.0 112.117 -178.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.4 t -68.46 132.73 91.19 Favored Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 124.482 1.113 . . . . 0.0 111.596 172.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -82.95 -14.64 8.57 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 123.838 3.025 . . . . 0.0 113.931 -177.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.5 m -72.06 140.44 48.97 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.972 0.909 . . . . 0.0 112.41 -172.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -63.26 137.2 58.12 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.879 0.872 . . . . 0.0 112.57 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.37 -6.19 38.99 Favored Glycine 0 CA--C 1.541 1.687 0 C-N-CA 124.832 1.206 . . . . 0.0 115.676 -177.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.3 t -84.85 151.73 24.1 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.31 1.444 . . . . 0.0 111.56 175.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -130.99 8.73 4.81 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.973 1.709 . . . . 0.0 113.642 -177.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -68.73 141.03 55.38 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.682 1.193 . . . . 0.0 113.158 -176.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.4 p -145.08 150.53 36.99 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.164 1.386 . . . . 0.0 112.429 172.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -158.77 147.79 14.48 Favored Pre-proline 0 N--CA 1.476 0.871 0 C-N-CA 124.979 1.311 . . . . 0.0 111.58 -175.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -78.13 -8.64 16.51 Favored 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 122.302 2.001 . . . . 0.0 113.757 177.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -113.06 129.71 56.41 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.24 1.016 . . . . 0.0 113.118 -172.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -65.57 -31.8 73.04 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -77.29 -34.5 55.54 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.91 0.777 . . . . 0.0 111.407 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.4 -38.83 92.41 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.156 0.582 . . . . 0.0 111.074 170.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.6 tp -64.66 -47.26 79.12 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 118.726 -0.654 . . . . 0.0 111.857 174.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -57.42 -43.56 83.88 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.563 1.074 . . . . 0.0 112.175 175.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.91 -27.99 69.2 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 173.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -80.18 -34.97 37.06 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.634 0.774 . . . . 0.0 113.075 171.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.5 mt -58.51 -34.03 70.5 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 120.764 1.62 . . . . 0.0 111.616 175.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.48 -11.56 24.72 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.03 1.332 . . . . 0.0 114.425 174.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -76.41 -24.24 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.143 0.977 . . . . 0.0 112.292 171.167 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 . . . . . 0 CA--C 1.543 0.686 0 C-N-CA 125.239 1.416 . . . . 0.0 113.773 -177.418 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 CA--C 1.538 0.484 0 CA-C-O 121.338 0.589 . . . . 0.0 111.853 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.9 mt -97.36 147.66 23.95 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.298 1.839 . . . . 0.0 108.407 168.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -125.32 147.1 49.27 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.253 1.021 . . . . 0.0 112.491 -173.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 19.0 t -69.57 128.22 92.26 Favored Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 124.453 1.101 . . . . 0.0 110.989 175.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 28.9 Cg_exo -71.98 -18.81 27.42 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.281 2.654 . . . . 0.0 114.578 -178.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.9 m -66.92 129.4 39.78 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.133 0.973 . . . . 0.0 111.554 -173.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.0 -31.9 72.78 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -170.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.16 -1.85 90.19 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 124.702 1.144 . . . . 0.0 115.224 175.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.1 t -95.48 170.05 9.62 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.784 1.633 . . . . 0.0 112.878 -174.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -141.17 4.54 1.84 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.293 1.837 . . . . 0.0 112.792 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -76.32 140.12 41.35 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.331 1.052 . . . . 0.0 113.719 -171.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.0 p -145.26 154.17 42.08 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.347 1.459 . . . . 0.0 112.202 170.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.2 t -158.94 149.15 15.44 Favored Pre-proline 0 N--CA 1.477 0.911 0 C-N-CA 124.818 1.247 . . . . 0.0 111.854 -176.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.75 -8.56 19.28 Favored 'Trans proline' 0 CA--C 1.546 1.087 0 C-N-CA 122.628 2.218 . . . . 0.0 113.566 172.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -111.18 121.31 44.96 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.506 1.123 . . . . 0.0 112.942 -171.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -62.6 -26.09 68.43 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 176.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -85.37 -31.68 22.82 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.852 0.861 . . . . 0.0 111.967 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -67.96 -35.75 78.92 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.416 0.553 . . . . 0.0 111.149 169.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.5 tp -64.23 -47.02 81.27 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.123 0.569 . . . . 0.0 111.905 172.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -56.64 -43.91 80.76 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 119.009 0.822 . . . . 0.0 112.399 173.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.33 -19.31 65.9 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 174.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -90.88 -38.49 12.88 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.788 1.235 . . . . 0.0 112.712 171.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 76.4 mt -59.05 -27.93 65.97 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.386 -1.446 . . . . 0.0 113.297 -175.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.1 pttm -62.12 -19.37 62.94 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.961 1.304 . . . . 0.0 114.258 173.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -24.66 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.897 1.279 . . . . 0.0 112.558 -177.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 . . . . . 0 CA--C 1.541 0.611 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 -173.053 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 CA--C 1.539 0.539 0 CA-C-O 120.931 0.396 . . . . 0.0 111.425 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.0 mt -94.18 138.68 31.93 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.809 1.644 . . . . 0.0 108.488 168.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -108.57 146.74 32.84 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.422 1.089 . . . . 0.0 111.868 -175.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.1 t -67.62 130.12 93.24 Favored Pre-proline 0 CA--C 1.552 1.048 0 C-N-CA 124.074 0.949 . . . . 0.0 110.64 169.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -83.07 -6.25 11.24 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 C-N-CA 123.95 3.1 . . . . 0.0 113.563 -178.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.0 m -75.38 139.67 42.52 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.689 0.796 . . . . 0.0 112.153 -169.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -62.38 134.13 56.03 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.563 0.745 . . . . 0.0 112.176 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.28 -4.86 46.57 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 124.677 1.132 . . . . 0.0 115.658 -177.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.9 t -84.28 157.57 21.5 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.022 1.329 . . . . 0.0 111.728 174.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -136.81 6.99 2.95 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.881 1.672 . . . . 0.0 112.826 -176.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -73.06 141.21 47.6 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.575 1.15 . . . . 0.0 113.377 -174.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.6 p -145.63 154.09 41.75 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.581 1.152 . . . . 0.0 112.668 169.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.3 t -158.14 147.58 14.97 Favored Pre-proline 0 N--CA 1.476 0.832 0 C-N-CA 125.158 1.383 . . . . 0.0 111.303 -178.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -76.34 -5.35 16.09 Favored 'Trans proline' 0 CA--C 1.544 1.019 0 C-N-CA 122.539 2.159 . . . . 0.0 114.152 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -115.3 131.89 56.79 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.65 1.114 . . . . 0.0 113.622 -174.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -54.73 -44.83 73.89 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.431 1.492 . . . . 0.0 112.99 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -81.12 -28.41 35.15 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.357 0.663 . . . . 0.0 111.815 -173.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.85 -37.05 85.16 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.767 -0.583 . . . . 0.0 110.745 168.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.8 tp -66.56 -45.53 79.04 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.868 -0.587 . . . . 0.0 111.648 173.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -57.3 -41.58 80.13 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.45 1.023 . . . . 0.0 112.43 174.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.46 -18.7 65.52 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 173.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -89.7 -37.92 14.23 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.201 1.001 . . . . 0.0 112.422 169.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.2 mt -56.04 -35.87 67.37 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 120.472 1.487 . . . . 0.0 112.532 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -61.07 -21.72 63.92 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.66 1.355 . . . . 0.0 114.66 175.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.15 -23.69 33.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.159 0.984 . . . . 0.0 112.339 175.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 . . . . . 0 CA--C 1.543 0.688 0 C-N-CA 124.95 1.3 . . . . 0.0 113.726 179.224 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 CA--C 1.539 0.546 0 CA-C-O 121.278 0.561 . . . . 0.0 111.849 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.5 mt -95.0 150.81 19.76 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.333 1.853 . . . . 0.0 108.299 168.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -127.78 151.83 48.53 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.626 0.972 . . . . 0.0 113.626 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.9 t -69.19 135.34 89.18 Favored Pre-proline 0 CA--C 1.554 1.114 0 C-N-CA 125.52 1.528 . . . . 0.0 111.453 174.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -82.29 -13.79 9.79 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 124.002 3.134 . . . . 0.0 114.07 -175.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 95.1 m -68.11 133.77 49.48 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.027 0.931 . . . . 0.0 111.655 -175.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -66.4 -32.26 73.54 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -172.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.99 4.57 74.97 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 125.057 1.313 . . . . 0.0 115.227 174.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.4 t -117.72 158.48 24.64 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.55 1.94 . . . . 0.0 112.001 -172.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -144.1 16.91 1.74 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.283 1.433 . . . . 0.0 112.614 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -62.92 143.05 58.04 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.193 0.997 . . . . 0.0 112.317 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.1 p -143.7 151.57 40.22 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.593 1.157 . . . . 0.0 113.15 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 t -160.37 148.41 13.01 Favored Pre-proline 0 N--CA 1.475 0.824 0 C-N-CA 125.252 1.421 . . . . 0.0 111.1 179.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -78.26 -7.2 16.03 Favored 'Trans proline' 0 CA--C 1.544 0.986 0 C-N-CA 122.299 1.999 . . . . 0.0 113.214 172.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -104.59 125.95 51.22 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.467 1.107 . . . . 0.0 113.199 -173.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -69.41 -20.18 63.8 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -91.86 -34.17 14.64 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.33 1.052 . . . . 0.0 111.906 176.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.82 -37.31 81.57 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.172 0.896 . . . . 0.0 111.562 170.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.3 tp -65.68 -44.54 85.91 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 122.881 0.473 . . . . 0.0 112.179 173.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -62.83 -32.38 73.58 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.93 -36.16 75.1 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.414 1.085 . . . . 0.0 112.562 169.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -73.22 -37.28 66.46 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.458 -0.776 . . . . 0.0 112.993 175.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 79.5 mt -56.26 -31.22 63.38 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 120.058 1.299 . . . . 0.0 112.786 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -65.45 -22.67 66.78 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.722 1.209 . . . . 0.0 113.502 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.93 -26.15 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.161 0.985 . . . . 0.0 112.151 177.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 . . . . . 0 CA--C 1.545 0.763 0 C-N-CA 125.093 1.357 . . . . 0.0 114.006 178.788 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 CA--C 1.539 0.546 0 CA-C-O 121.798 0.808 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.0 mt -80.94 153.4 27.55 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.664 1.585 . . . . 0.0 109.14 168.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -126.06 151.35 47.27 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.224 1.01 . . . . 0.0 113.35 177.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.3 t -68.78 133.36 90.43 Favored Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 125.439 1.496 . . . . 0.0 111.267 173.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -84.91 -8.17 9.19 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 124.222 3.281 . . . . 0.0 114.052 -176.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.0 m -71.61 133.77 45.94 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.802 0.841 . . . . 0.0 111.185 -175.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -70.59 -24.62 62.79 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.536 1.31 . . . . 0.0 114.536 -170.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.96 8.49 76.05 Favored Glycine 0 CA--C 1.539 1.59 0 C-N-CA 125.077 1.323 . . . . 0.0 114.808 172.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.2 t -128.9 158.04 39.9 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.788 2.035 . . . . 0.0 112.033 -169.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -145.26 16.22 1.51 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.456 1.503 . . . . 0.0 112.855 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -62.26 144.38 55.66 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.741 1.216 . . . . 0.0 112.733 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.6 p -141.52 151.27 43.13 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.089 1.356 . . . . 0.0 112.998 175.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 t -160.04 147.71 12.9 Favored Pre-proline 0 N--CA 1.476 0.85 0 C-N-CA 124.71 1.204 . . . . 0.0 111.964 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -76.33 -7.42 17.94 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 122.626 2.217 . . . . 0.0 113.684 173.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -114.79 129.85 56.76 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.387 1.075 . . . . 0.0 113.439 -172.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -68.87 -30.89 69.49 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -78.28 -35.23 48.28 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.976 0.807 . . . . 0.0 111.195 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.93 -38.16 89.91 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 118.486 0.585 . . . . 0.0 111.231 169.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 45.9 tp -65.38 -45.59 83.46 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 118.596 -0.716 . . . . 0.0 111.846 173.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -56.11 -43.88 78.56 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 120.021 1.282 . . . . 0.0 112.454 174.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.85 -15.44 61.87 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 173.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -97.9 -30.0 12.99 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.551 1.54 . . . . 0.0 113.27 169.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.53 -34.61 78.66 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 119.672 -1.893 . . . . 0.0 112.008 176.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -60.98 -24.14 65.89 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 176.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.6 t -62.94 -31.46 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 126.252 1.821 . . . . 0.0 111.52 175.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 . . . . . 0 N--CA 1.469 0.524 0 C-N-CA 124.629 1.172 . . . . 0.0 113.954 -176.387 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 CA--C 1.538 0.495 0 CA-C-O 121.154 0.502 . . . . 0.0 111.956 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.6 mt -74.77 151.44 39.12 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.608 1.563 . . . . 0.0 109.079 168.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -133.43 145.52 50.35 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.827 0.851 . . . . 0.0 112.506 -168.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.0 t -70.62 129.43 90.02 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 124.175 0.99 . . . . 0.0 111.14 176.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -83.55 -6.36 10.81 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 124.191 3.261 . . . . 0.0 113.415 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.0 m -72.95 139.63 46.89 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.087 0.955 . . . . 0.0 112.055 -169.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -61.97 133.25 55.13 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.527 -0.733 . . . . 0.0 112.178 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.16 -4.45 47.55 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 124.681 1.134 . . . . 0.0 115.65 -177.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.5 t -85.51 157.19 20.49 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.187 1.395 . . . . 0.0 111.766 175.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -138.19 8.65 2.71 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.748 1.619 . . . . 0.0 112.834 -175.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -72.11 141.22 49.18 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.651 1.18 . . . . 0.0 113.478 -174.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.2 p -145.36 154.28 42.13 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.082 1.353 . . . . 0.0 112.818 172.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.8 t -159.4 148.12 14.01 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 124.877 1.271 . . . . 0.0 112.052 -176.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -76.26 -8.72 18.77 Favored 'Trans proline' 0 CA--C 1.545 1.062 0 C-N-CA 122.634 2.223 . . . . 0.0 113.835 174.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -111.58 128.61 56.09 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 119.635 1.107 . . . . 0.0 113.077 -174.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -55.39 -42.52 74.13 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.059 1.344 . . . . 0.0 112.783 174.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -77.37 -29.3 53.25 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 121.784 -0.572 . . . . 0.0 112.293 -174.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -64.85 -40.18 94.74 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.215 1.006 . . . . 0.0 110.745 169.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.9 tp -66.74 -42.79 85.68 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.001 0.52 . . . . 0.0 111.815 175.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -58.32 -44.43 88.64 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.138 0.881 . . . . 0.0 112.101 173.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.18 -31.3 72.41 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.742 0.817 . . . . 0.0 113.161 173.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -75.87 -38.62 57.74 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.324 -0.86 . . . . 0.0 112.848 173.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 84.2 mt -58.3 -32.24 68.26 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 120.304 1.411 . . . . 0.0 112.171 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.88 -22.7 65.77 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.593 1.157 . . . . 0.0 113.83 173.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -28.73 45.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 119.438 1.017 . . . . 0.0 111.989 176.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 . . . . . 0 CA--C 1.54 0.565 0 C-N-CA 124.543 1.137 . . . . 0.0 112.818 -179.669 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 mp . . . . . 0 CA--C 1.54 0.565 0 CA-C-O 121.49 0.662 . . . . 0.0 112.268 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.5 mt -82.01 152.77 26.52 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.438 1.495 . . . . 0.0 108.774 167.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -124.37 147.8 47.98 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.5 1.12 . . . . 0.0 112.452 -175.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.0 t -67.79 133.39 92.31 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 124.46 1.104 . . . . 0.0 111.6 176.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -79.82 -8.91 14.54 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 123.82 3.013 . . . . 0.0 113.888 -177.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.9 m -75.49 130.99 39.79 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.004 0.82 . . . . 0.0 111.316 -176.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.88 -32.74 74.21 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -171.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.28 0.29 89.05 Favored Glycine 0 CA--C 1.54 1.611 0 C-N-CA 124.732 1.158 . . . . 0.0 115.113 175.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.6 t -101.45 166.89 10.49 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.109 1.764 . . . . 0.0 112.681 -173.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -140.82 6.03 2.0 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.151 1.781 . . . . 0.0 112.903 -177.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -74.02 143.08 45.69 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.7 1.2 . . . . 0.0 113.734 -173.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.1 p -145.24 153.86 41.76 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.354 1.461 . . . . 0.0 112.472 171.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 t -159.39 147.8 13.76 Favored Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 124.799 1.24 . . . . 0.0 112.006 -178.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -75.47 -9.21 20.04 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 122.604 2.202 . . . . 0.0 114.131 175.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -112.64 125.14 53.97 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.94 1.245 . . . . 0.0 113.172 -175.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.437 ' HD3' ' H ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -55.23 -35.26 64.74 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.894 1.278 . . . . 0.0 113.35 171.379 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -71.24 -38.12 71.95 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.151 0.887 . . . . 0.0 112.066 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -38.33 86.73 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.725 1.21 . . . . 0.0 110.411 176.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.1 tp -64.95 -48.21 74.9 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.448 0.699 . . . . 0.0 111.81 174.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -57.98 -42.53 85.28 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.402 1.001 . . . . 0.0 112.049 175.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.89 -27.88 69.67 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 173.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -80.61 -34.07 35.4 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.222 1.009 . . . . 0.0 113.063 172.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.6 mt -58.29 -31.96 67.99 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 120.657 1.571 . . . . 0.0 112.138 176.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -56.64 -27.35 58.27 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.883 1.273 . . . . 0.0 113.502 172.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.98 -23.14 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 124.523 1.129 . . . . 0.0 112.511 177.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 . . . . . 0 CA--C 1.54 0.587 0 C-N-CA 125.039 1.336 . . . . 0.0 113.125 178.228 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 mp . . . . . 0 CA--C 1.538 0.489 0 CA-C-O 121.984 0.897 . . . . 0.0 112.687 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.7 mt -93.6 153.51 18.36 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 127.441 2.296 . . . . 0.0 108.912 168.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -123.75 147.46 47.48 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.414 1.086 . . . . 0.0 112.447 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.6 t -68.7 130.66 91.69 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 124.39 1.076 . . . . 0.0 110.692 171.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -84.15 -6.5 10.25 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 124.144 3.229 . . . . 0.0 113.674 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.3 m -75.58 138.89 41.76 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.776 0.83 . . . . 0.0 112.137 -169.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -62.63 134.0 55.7 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.551 0.74 . . . . 0.0 112.092 177.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.66 -5.84 43.5 Favored Glycine 0 CA--C 1.541 1.675 0 C-N-CA 124.683 1.135 . . . . 0.0 115.54 -176.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.8 t -91.11 151.74 20.88 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.47 1.508 . . . . 0.0 111.285 173.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -135.73 10.49 3.39 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.634 1.574 . . . . 0.0 112.926 -173.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -70.45 141.53 52.06 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.01 1.324 . . . . 0.0 113.23 -175.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.0 p -145.56 151.52 38.26 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.257 1.423 . . . . 0.0 112.646 173.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -160.54 146.43 11.43 Favored Pre-proline 0 N--CA 1.478 0.973 0 C-N-CA 124.705 1.202 . . . . 0.0 111.969 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -76.3 -9.02 18.89 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 122.828 2.352 . . . . 0.0 113.334 172.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -103.69 113.06 26.29 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.111 1.364 . . . . 0.0 112.35 -174.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -59.3 -35.33 73.59 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 121.225 -0.922 . . . . 0.0 113.42 178.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -71.7 -32.09 67.45 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.796 0.838 . . . . 0.0 112.498 178.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -73.22 -35.25 66.28 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.789 0.835 . . . . 0.0 111.47 172.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.0 tp -64.54 -45.31 87.7 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 118.918 -0.563 . . . . 0.0 111.712 170.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -55.08 -45.12 75.35 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.556 1.071 . . . . 0.0 112.318 173.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.15 -19.04 65.79 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 174.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -93.44 -31.24 14.68 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.547 1.539 . . . . 0.0 112.923 172.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.65 -36.21 82.1 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 119.884 -1.76 . . . . 0.0 111.874 177.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -61.79 -23.83 66.46 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.45 -27.31 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 125.563 1.545 . . . . 0.0 111.31 175.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 . . . . . 0 CA--C 1.544 0.718 0 C-N-CA 125.376 1.471 . . . . 0.0 114.36 -179.195 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.6 mp . . . . . 0 CA--C 1.539 0.525 0 CA-C-O 121.598 0.714 . . . . 0.0 112.154 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.2 mt -87.66 152.31 22.26 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.176 1.79 . . . . 0.0 108.548 168.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -126.04 152.47 45.75 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 176.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.5 t -67.86 132.99 92.21 Favored Pre-proline 0 CA--C 1.556 1.184 0 C-N-CA 125.467 1.507 . . . . 0.0 111.429 173.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -87.62 -12.33 4.53 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 124.139 3.226 . . . . 0.0 114.028 -176.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.9 m -69.77 142.76 53.16 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.928 0.891 . . . . 0.0 112.411 -171.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.62 134.46 57.09 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.681 0.793 . . . . 0.0 112.424 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.31 -3.53 52.83 Favored Glycine 0 CA--C 1.541 1.666 0 C-N-CA 124.644 1.116 . . . . 0.0 115.465 -176.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.9 t -100.21 147.42 25.74 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.927 1.691 . . . . 0.0 111.237 176.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -144.08 24.78 1.62 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.165 1.386 . . . . 0.0 112.457 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -60.1 142.63 53.87 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.339 1.056 . . . . 0.0 111.495 173.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.5 p -142.79 150.63 40.25 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.505 1.122 . . . . 0.0 113.541 178.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -161.54 148.05 11.27 Favored Pre-proline 0 N--CA 1.476 0.845 0 C-N-CA 125.147 1.379 . . . . 0.0 111.427 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -76.58 -6.94 17.44 Favored 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 122.642 2.228 . . . . 0.0 113.39 172.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -107.87 121.66 45.21 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.653 1.181 . . . . 0.0 112.691 -173.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -61.4 -26.51 67.9 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 176.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -85.2 -31.76 23.03 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.853 0.861 . . . . 0.0 112.176 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -68.5 -35.29 77.31 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 121.761 -0.587 . . . . 0.0 111.051 169.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.1 tp -65.41 -45.22 84.79 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 118.985 -0.531 . . . . 0.0 111.771 172.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -57.46 -43.88 84.36 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.279 0.945 . . . . 0.0 112.333 173.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.62 -20.47 65.7 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 173.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -90.23 -38.46 13.43 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.117 0.967 . . . . 0.0 112.637 169.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 71.6 mt -58.17 -35.39 71.51 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.389 -1.444 . . . . 0.0 112.407 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -59.32 -22.19 60.88 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 173.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.75 -23.24 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 124.141 0.977 . . . . 0.0 112.098 173.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 . . . . . 0 CA--C 1.542 0.66 0 C-N-CA 125.889 1.676 . . . . 0.0 112.738 175.888 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 mp . . . . . 0 CA--C 1.537 0.464 0 CA-C-O 121.634 0.731 . . . . 0.0 112.111 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.6 mt -85.62 153.06 22.64 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.06 1.744 . . . . 0.0 108.9 168.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -125.67 146.41 49.74 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.499 1.12 . . . . 0.0 112.346 -175.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.5 t -69.51 132.81 89.2 Favored Pre-proline 0 CA--C 1.555 1.145 0 C-N-CA 124.499 1.12 . . . . 0.0 110.781 173.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -81.07 -12.93 11.64 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 123.833 3.022 . . . . 0.0 114.05 -174.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 96.3 m -69.99 132.11 45.42 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.902 0.881 . . . . 0.0 111.557 -175.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.41 -32.36 73.7 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -171.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.82 -0.57 89.56 Favored Glycine 0 CA--C 1.54 1.626 0 C-N-CA 124.845 1.212 . . . . 0.0 115.165 174.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.7 t -101.39 165.35 11.31 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.189 1.796 . . . . 0.0 112.499 -175.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -140.89 6.88 2.03 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.954 1.702 . . . . 0.0 112.796 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -75.49 140.9 43.1 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.699 1.2 . . . . 0.0 113.593 -172.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.5 p -145.28 152.35 39.78 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.476 1.51 . . . . 0.0 112.529 172.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.4 t -159.78 147.12 12.75 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 124.731 1.213 . . . . 0.0 111.827 -177.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -75.52 -7.26 18.55 Favored 'Trans proline' 0 CA--C 1.543 0.939 0 C-N-CA 122.726 2.284 . . . . 0.0 114.215 176.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -114.82 131.77 56.71 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.584 1.084 . . . . 0.0 113.514 -173.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -70.03 -25.98 63.83 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -84.21 -34.99 23.81 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.846 0.858 . . . . 0.0 111.034 176.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -61.92 -35.65 79.01 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 118.504 0.593 . . . . 0.0 111.541 169.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.3 tp -68.11 -46.9 69.65 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 118.761 -0.638 . . . . 0.0 111.79 173.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -56.65 -41.99 78.15 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.662 1.119 . . . . 0.0 112.701 175.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.74 -17.24 62.83 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 124.825 1.25 . . . . 0.0 114.25 172.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -95.6 -37.98 10.6 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.602 1.161 . . . . 0.0 112.855 169.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.8 mt -56.42 -35.64 68.04 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 120.548 1.522 . . . . 0.0 112.451 -178.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -59.55 -23.42 62.85 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 175.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -24.5 36.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.167 0.987 . . . . 0.0 112.191 176.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 . . . . . 0 CA--C 1.545 0.785 0 C-N-CA 125.325 1.45 . . . . 0.0 113.95 179.403 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 mp . . . . . 0 CA--C 1.54 0.584 0 CA-C-O 121.826 0.822 . . . . 0.0 113.19 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.8 mt -86.52 153.31 21.94 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.636 1.974 . . . . 0.0 109.819 168.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.75 141.48 51.15 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.149 1.38 . . . . 0.0 111.665 -176.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.1 t -59.05 130.19 86.5 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 124.543 1.137 . . . . 0.0 111.449 171.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -79.11 -6.81 15.09 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.871 3.047 . . . . 0.0 113.494 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.7 m -76.32 138.04 40.24 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.667 0.787 . . . . 0.0 111.581 -174.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -61.59 129.89 43.27 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.609 0.764 . . . . 0.0 112.168 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.99 -3.14 47.34 Favored Glycine 0 CA--C 1.54 1.651 0 C-N-CA 124.697 1.142 . . . . 0.0 115.906 -178.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.5 t -87.36 126.52 34.91 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 119.184 1.492 . . . . 0.0 110.9 177.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -99.37 1.41 44.32 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.639 1.576 . . . . 0.0 114.103 -172.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -63.3 137.45 58.19 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 124.274 1.03 . . . . 0.0 113.251 -175.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.1 p -144.86 151.17 38.33 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.845 1.258 . . . . 0.0 112.589 173.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.4 t -158.64 146.9 13.88 Favored Pre-proline 0 N--CA 1.477 0.888 0 C-N-CA 124.833 1.253 . . . . 0.0 111.806 -177.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -76.01 -8.58 18.99 Favored 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 122.614 2.21 . . . . 0.0 113.09 172.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -107.4 117.6 34.52 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.194 1.398 . . . . 0.0 113.061 -172.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.95 -47.0 71.76 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.716 1.607 . . . . 0.0 112.626 177.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -72.79 -28.97 62.9 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -177.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -71.12 -35.18 71.66 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 121.659 -0.65 . . . . 0.0 111.615 170.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.4 tp -64.66 -45.52 86.38 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 118.841 -0.6 . . . . 0.0 111.618 170.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -57.47 -42.19 82.11 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.496 1.043 . . . . 0.0 112.144 174.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.91 -13.48 59.77 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 172.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -97.15 -29.64 13.48 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.726 1.61 . . . . 0.0 113.0 170.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.16 -37.17 81.93 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 119.924 -1.735 . . . . 0.0 112.191 176.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -62.64 -21.31 65.58 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.1 t -62.37 -31.14 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.747 1.619 . . . . 0.0 111.045 173.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 . . . . . 0 CA--C 1.538 0.518 0 C-N-CA 124.776 1.23 . . . . 0.0 113.434 -178.714 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.8 mp . . . . . 0 CA--C 1.539 0.552 0 CA-C-O 121.669 0.747 . . . . 0.0 112.051 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.1 mt -90.08 153.42 20.56 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.649 1.98 . . . . 0.0 109.258 169.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -124.54 148.8 47.56 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.128 0.971 . . . . 0.0 113.534 -176.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.3 t -66.48 132.01 94.22 Favored Pre-proline 0 CA--C 1.554 1.123 0 C-N-CA 124.775 1.23 . . . . 0.0 110.927 170.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -86.18 -13.14 5.51 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 123.896 3.064 . . . . 0.0 113.953 -176.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.6 m -71.78 141.28 49.72 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.793 0.837 . . . . 0.0 112.439 -169.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -60.63 134.2 56.84 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.622 0.769 . . . . 0.0 112.336 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.15 -4.72 53.64 Favored Glycine 0 CA--C 1.541 1.684 0 C-N-CA 124.675 1.131 . . . . 0.0 115.484 -175.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.8 t -99.36 147.81 24.84 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.816 1.646 . . . . 0.0 111.096 174.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -142.5 17.98 2.03 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.783 1.233 . . . . 0.0 113.086 -178.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -60.35 138.91 57.89 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.828 1.251 . . . . 0.0 112.09 176.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.9 p -138.57 151.63 47.47 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.604 1.161 . . . . 0.0 113.252 177.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -158.93 147.39 13.98 Favored Pre-proline 0 N--CA 1.476 0.857 0 C-N-CA 125.094 1.358 . . . . 0.0 111.095 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -74.67 -7.35 19.32 Favored 'Trans proline' 0 CA--C 1.545 1.052 0 C-N-CA 122.661 2.241 . . . . 0.0 113.811 174.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -110.65 130.12 55.65 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 119.567 1.076 . . . . 0.0 113.835 -174.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -56.79 -43.86 81.31 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.361 1.465 . . . . 0.0 113.231 176.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -81.49 -30.83 33.16 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.537 0.735 . . . . 0.0 111.638 -174.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.66 -37.45 87.4 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 118.6 0.636 . . . . 0.0 110.708 167.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.0 tp -66.42 -46.04 77.88 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-O 118.443 -0.789 . . . . 0.0 111.935 173.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -56.99 -42.44 80.27 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 119.837 1.199 . . . . 0.0 112.45 175.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.61 -24.0 66.4 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 173.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -88.57 -32.88 17.91 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.306 1.042 . . . . 0.0 113.082 170.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.7 mt -57.05 -35.17 69.01 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 121.447 1.93 . . . . 0.0 111.064 172.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -57.87 -21.45 43.02 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.163 1.385 . . . . 0.0 114.697 173.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 m -70.89 -21.97 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 120.34 1.427 . . . . 0.0 112.518 173.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 . . . . . 0 CA--C 1.541 0.609 0 C-N-CA 125.861 1.664 . . . . 0.0 113.065 -179.221 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.6 mt . . . . . 0 CA--C 1.539 0.524 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.5 mt -80.57 152.47 28.59 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.109 1.363 . . . . 0.0 108.094 166.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -125.85 151.15 47.23 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.8 t -64.11 130.94 94.82 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 124.765 1.226 . . . . 0.0 111.407 172.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -82.8 -7.41 11.4 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 124.13 3.22 . . . . 0.0 113.409 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.4 m -74.06 140.58 45.45 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.836 0.854 . . . . 0.0 111.852 -171.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -64.87 139.88 58.81 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.285 -0.884 . . . . 0.0 112.298 176.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.15 -5.61 25.75 Favored Glycine 0 CA--C 1.544 1.866 0 C-N-CA 124.581 1.086 . . . . 0.0 115.592 -174.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.7 t -95.36 152.9 17.98 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.917 1.687 . . . . 0.0 111.378 176.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -141.68 16.15 2.16 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.103 1.361 . . . . 0.0 112.801 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -63.15 144.73 56.66 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.605 1.162 . . . . 0.0 112.672 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.7 p -143.79 149.38 36.97 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.109 1.364 . . . . 0.0 113.128 178.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.6 t -159.24 148.04 14.14 Favored Pre-proline 0 N--CA 1.478 0.962 0 C-N-CA 125.293 1.437 . . . . 0.0 111.357 -176.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -78.08 -6.64 15.92 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.296 1.997 . . . . 0.0 113.759 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -115.45 131.5 56.91 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.418 1.087 . . . . 0.0 113.593 -171.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -69.45 -24.59 63.83 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -86.53 -35.26 19.64 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.316 0.962 . . . . 0.0 111.325 176.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -61.78 -35.75 79.07 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 118.836 0.744 . . . . 0.0 111.343 169.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 55.3 tp -66.2 -48.69 69.82 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.334 0.654 . . . . 0.0 111.914 173.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -57.16 -41.24 78.84 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 118.881 0.764 . . . . 0.0 112.741 176.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.61 -28.51 69.67 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.219 1.008 . . . . 0.0 113.358 172.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -79.07 -31.15 44.32 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.208 -0.933 . . . . 0.0 112.859 170.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.8 mt -56.88 -27.53 60.63 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.935 1.698 . . . . 0.0 112.022 173.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -62.97 -30.09 71.31 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.727 1.211 . . . . 0.0 113.404 175.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.8 m -62.8 -26.61 41.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 119.907 1.231 . . . . 0.0 112.389 -175.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 . . . . . 0 CA--C 1.546 0.816 0 C-N-CA 125.625 1.57 . . . . 0.0 113.751 -178.416 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 CA--C 1.54 0.584 0 CA-C-O 121.521 0.677 . . . . 0.0 112.097 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.9 mt -106.78 153.07 23.0 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.157 2.183 . . . . 0.0 108.497 168.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -127.33 150.82 49.42 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.367 1.067 . . . . 0.0 113.653 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.6 t -64.25 131.87 95.15 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 125.458 1.503 . . . . 0.0 111.42 173.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -83.05 -7.08 11.22 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 124.063 3.175 . . . . 0.0 113.568 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.2 m -74.66 140.65 44.38 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.695 0.798 . . . . 0.0 112.237 -170.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -61.42 133.89 56.28 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.462 -0.774 . . . . 0.0 112.165 177.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.13 -3.43 52.23 Favored Glycine 0 CA--C 1.542 1.721 0 C-N-CA 124.646 1.117 . . . . 0.0 115.488 -176.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.7 t -98.68 151.72 20.42 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.863 1.665 . . . . 0.0 111.089 176.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -141.47 10.73 2.08 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.929 1.292 . . . . 0.0 113.315 -178.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -56.33 141.73 40.63 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.053 1.341 . . . . 0.0 112.298 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.8 p -139.88 151.61 45.78 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 176.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 t -159.44 148.46 14.23 Favored Pre-proline 0 N--CA 1.475 0.819 0 C-N-CA 125.692 1.597 . . . . 0.0 110.795 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -75.99 -11.78 19.69 Favored 'Trans proline' 0 CA--C 1.546 1.08 0 C-N-CA 122.435 2.09 . . . . 0.0 113.117 172.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -102.35 120.19 40.08 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.893 1.277 . . . . 0.0 112.611 -174.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -62.04 -33.76 74.97 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 121.285 -0.884 . . . . 0.0 113.348 177.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -69.62 -41.7 75.31 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.688 0.795 . . . . 0.0 111.782 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -63.12 -38.5 91.44 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.091 1.357 . . . . 0.0 111.718 171.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.3 tp -65.27 -46.47 80.36 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 118.952 -0.547 . . . . 0.0 111.975 174.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -57.61 -42.4 83.2 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.233 0.924 . . . . 0.0 111.93 174.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.48 -26.98 68.17 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 173.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -78.21 -31.41 49.39 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 120.949 -1.094 . . . . 0.0 112.664 170.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.2 mt -56.32 -28.18 58.06 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 120.948 1.704 . . . . 0.0 111.968 173.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -63.07 -27.69 69.57 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.571 1.548 . . . . 0.0 113.754 174.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.3 m -65.3 -22.78 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 CA-C-N 119.956 1.253 . . . . 0.0 112.357 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 . . . . . 0 CA--C 1.545 0.755 0 C-N-CA 125.177 1.391 . . . . 0.0 113.565 -179.433 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 CA--C 1.539 0.549 0 CA-C-O 120.912 0.386 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.0 mt -113.33 129.77 56.44 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.973 1.709 . . . . 0.0 109.509 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt -95.3 146.15 24.58 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.019 1.327 . . . . 0.0 113.501 -174.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.2 t -65.61 134.13 95.34 Favored Pre-proline 0 CA--C 1.554 1.104 0 C-N-CA 125.452 1.501 . . . . 0.0 111.292 169.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -67.62 -23.58 42.67 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 123.412 2.742 . . . . 0.0 114.676 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.9 m -70.12 132.53 45.97 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.937 0.895 . . . . 0.0 112.264 -171.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -65.65 132.94 50.03 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.669 0.788 . . . . 0.0 112.066 178.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.12 -0.48 58.82 Favored Glycine 0 CA--C 1.54 1.651 0 N-CA-C 115.749 1.06 . . . . 0.0 115.749 -178.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.5 t -79.03 -48.63 14.07 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.885 1.342 . . . . 0.0 112.357 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . 0.28 2.0 p30 51.4 9.06 0.06 Allowed 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 129.711 3.205 . . . . 0.0 117.427 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -56.81 142.14 41.91 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.544 1.537 . . . . 0.0 112.604 177.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 p -143.94 154.39 43.26 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 169.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 t -151.73 149.24 23.43 Favored Pre-proline 0 N--CA 1.472 0.656 0 C-N-CA 126.221 1.809 . . . . 0.0 110.338 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -76.38 -3.61 14.03 Favored 'Trans proline' 0 CA--C 1.544 0.975 0 C-N-CA 122.832 2.355 . . . . 0.0 114.238 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -116.09 130.58 56.87 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.498 1.119 . . . . 0.0 112.942 -175.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -69.17 -23.86 63.99 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 -178.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -87.05 -34.05 19.32 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.129 0.971 . . . . 0.0 111.477 176.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -62.83 -36.06 81.98 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 118.861 0.755 . . . . 0.0 111.599 169.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.1 tp -67.02 -45.29 77.96 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.29 0.496 . . . . 0.0 111.676 173.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -59.07 -42.16 89.72 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.138 0.881 . . . . 0.0 112.561 175.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.65 -29.19 69.91 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.041 0.936 . . . . 0.0 113.093 171.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -77.63 -34.76 53.19 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.657 0.783 . . . . 0.0 112.88 170.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 68.7 mt -56.7 -33.35 66.37 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.745 1.611 . . . . 0.0 112.185 176.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -60.25 -23.24 63.94 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.661 1.184 . . . . 0.0 113.874 174.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.08 -23.86 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.053 0.941 . . . . 0.0 112.305 176.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 . . . . . 0 CA--C 1.541 0.63 0 C-N-CA 124.823 1.249 . . . . 0.0 113.385 178.697 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 CA--C 1.539 0.551 0 CA-C-O 121.437 0.637 . . . . 0.0 111.779 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.2 mt -89.85 150.08 22.38 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.141 1.776 . . . . 0.0 108.395 168.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -126.72 147.38 49.97 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.152 0.981 . . . . 0.0 112.664 -172.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.9 t -67.98 132.17 92.18 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 124.331 1.052 . . . . 0.0 111.178 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -80.19 -8.84 14.09 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.99 3.127 . . . . 0.0 113.888 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.1 m -74.16 129.73 38.4 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.793 0.837 . . . . 0.0 111.101 -177.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.83 -31.2 71.66 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -172.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.56 3.43 82.53 Favored Glycine 0 CA--C 1.539 1.565 0 C-N-CA 125.037 1.303 . . . . 0.0 115.28 174.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.5 t -108.99 160.07 16.31 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.192 1.797 . . . . 0.0 112.319 -174.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -132.45 4.35 3.97 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.264 1.826 . . . . 0.0 113.011 -177.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -72.63 141.16 48.32 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.581 1.152 . . . . 0.0 113.801 -172.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.1 p -145.06 153.7 41.72 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.437 1.495 . . . . 0.0 112.542 171.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -160.18 148.41 13.25 Favored Pre-proline 0 N--CA 1.477 0.908 0 C-N-CA 125.209 1.404 . . . . 0.0 111.408 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -75.81 -7.89 18.74 Favored 'Trans proline' 0 CA--C 1.547 1.135 0 C-N-CA 122.412 2.075 . . . . 0.0 113.3 173.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -108.21 121.12 44.21 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.608 1.163 . . . . 0.0 113.108 -172.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -64.28 -24.54 67.7 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 176.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -84.93 -26.49 27.2 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.468 -0.77 . . . . 0.0 112.472 177.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -73.87 -40.32 63.32 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.645 -0.659 . . . . 0.0 110.441 169.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.6 tp -64.66 -49.24 71.77 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 118.573 -0.727 . . . . 0.0 112.379 176.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -60.88 -33.06 72.52 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.775 1.17 . . . . 0.0 112.508 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.84 -28.48 61.62 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 175.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -76.84 -31.63 57.01 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.447 1.099 . . . . 0.0 112.841 171.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.0 mt -55.22 -31.46 61.49 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 121.064 1.756 . . . . 0.0 112.159 175.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -66.08 -24.72 66.76 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.398 1.479 . . . . 0.0 113.89 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.3 m -63.53 -26.84 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 120.012 1.278 . . . . 0.0 112.262 -178.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 . . . . . 0 CA--C 1.543 0.707 0 C-N-CA 125.66 1.584 . . . . 0.0 113.872 -177.409 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.589 0 N-CA-C 112.138 -0.385 . . . . 0.0 112.138 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.8 p -146.1 160.15 42.31 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.5 1.52 . . . . 0.0 112.394 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.9 p -80.62 153.25 28.08 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.729 1.211 . . . . 0.0 113.323 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.26 168.08 30.76 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 125.056 1.312 . . . . 0.0 113.023 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 m -71.94 119.92 16.8 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.966 0.906 . . . . 0.0 111.778 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -157.75 170.24 22.81 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.381 1.472 . . . . 0.0 111.577 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.14 -178.89 36.09 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.468 1.032 . . . . 0.0 113.494 170.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.8 mm -77.98 125.64 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.772 -0.84 . . . . 0.0 109.608 175.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.9 136.16 45.21 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.943 0.897 . . . . 0.0 111.918 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.1 mt -103.87 147.19 27.61 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 127.062 2.145 . . . . 0.0 108.338 168.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -122.17 147.83 45.68 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.187 0.995 . . . . 0.0 112.569 -171.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.2 t -66.75 130.86 94.0 Favored Pre-proline 0 CA--C 1.552 1.04 0 C-N-CA 124.216 1.006 . . . . 0.0 111.219 174.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -81.46 -7.34 12.75 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.938 3.092 . . . . 0.0 113.577 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.0 m -77.93 139.51 39.21 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.832 0.853 . . . . 0.0 112.259 -169.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -63.17 136.61 57.85 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.683 0.793 . . . . 0.0 112.085 177.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.55 -5.61 36.21 Favored Glycine 0 CA--C 1.54 1.653 0 C-N-CA 124.695 1.14 . . . . 0.0 115.676 -177.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.9 t -84.41 156.98 21.55 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.267 1.427 . . . . 0.0 111.667 174.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -135.17 6.69 3.35 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.926 1.69 . . . . 0.0 112.913 -175.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -72.54 140.56 48.21 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.633 1.173 . . . . 0.0 113.394 -174.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.9 p -145.37 154.43 42.29 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.893 1.277 . . . . 0.0 112.453 170.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.6 t -158.32 147.97 15.12 Favored Pre-proline 0 N--CA 1.476 0.861 0 C-N-CA 125.158 1.383 . . . . 0.0 111.407 -177.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -76.15 -5.8 16.62 Favored 'Trans proline' 0 CA--C 1.546 1.099 0 C-N-CA 122.563 2.175 . . . . 0.0 113.763 175.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -112.35 128.9 56.42 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.263 1.025 . . . . 0.0 113.523 -174.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.0 ptmt -64.94 -32.96 74.93 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -82.55 -33.26 28.22 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.065 0.946 . . . . 0.0 111.556 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -63.06 -37.45 87.26 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.668 0.667 . . . . 0.0 111.083 168.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.8 tp -65.48 -46.69 78.79 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 118.872 -0.585 . . . . 0.0 111.99 173.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -57.83 -42.81 85.12 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.411 1.005 . . . . 0.0 112.089 174.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.05 -26.73 68.98 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 173.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -79.57 -34.81 40.57 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.72 0.808 . . . . 0.0 112.833 170.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 42.7 mt -58.23 -33.08 68.95 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 120.761 1.619 . . . . 0.0 111.982 175.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -58.93 -22.59 60.17 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.779 1.232 . . . . 0.0 113.868 173.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.93 -20.8 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.404 1.082 . . . . 0.0 112.641 174.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -100.5 -37.26 8.89 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.312 1.445 . . . . 0.0 112.635 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 77.5 p -84.53 -17.01 40.28 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -178.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.3 163.33 32.75 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.592 1.557 . . . . 0.0 112.223 176.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.6 tp -150.5 138.75 20.31 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.576 1.55 . . . . 0.0 110.278 177.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 126.336 1.854 . . . . 0.0 112.597 178.264 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.581 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -79.48 -12.87 59.87 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -174.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 m -67.48 152.15 46.15 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.966 1.306 . . . . 0.0 113.485 -177.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.64 176.24 45.56 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 125.077 1.322 . . . . 0.0 112.943 178.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.7 p -76.14 146.78 38.99 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.217 1.007 . . . . 0.0 113.11 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.2 p -158.84 167.87 28.29 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.648 1.579 . . . . 0.0 111.833 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.82 148.82 50.88 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 123.559 0.599 . . . . 0.0 112.552 171.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.6 pt -123.96 155.06 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.085 1.354 . . . . 0.0 112.793 -173.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.94 139.16 34.77 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.763 1.225 . . . . 0.0 110.847 173.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.9 mt -93.09 151.65 19.74 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.756 1.622 . . . . 0.0 108.599 168.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -128.39 150.32 50.16 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.186 0.994 . . . . 0.0 113.379 -177.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.3 t -69.96 133.21 88.15 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 125.255 1.422 . . . . 0.0 111.621 174.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -86.35 -13.69 5.11 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 124.037 3.158 . . . . 0.0 114.022 -176.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 37.8 m -71.23 142.0 50.6 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.078 0.951 . . . . 0.0 112.229 -171.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -64.58 141.59 58.72 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.373 -0.829 . . . . 0.0 112.72 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.93 -6.68 25.56 Favored Glycine 0 CA--C 1.541 1.695 0 C-N-CA 124.504 1.05 . . . . 0.0 115.408 -174.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.8 t -97.39 153.56 18.01 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.073 1.749 . . . . 0.0 111.329 175.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -142.68 12.15 1.88 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.08 1.352 . . . . 0.0 113.144 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -56.8 143.91 35.09 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.862 1.265 . . . . 0.0 112.609 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 93.9 p -142.46 151.22 41.51 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.473 1.109 . . . . 0.0 113.313 176.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.7 t -160.74 148.66 12.71 Favored Pre-proline 0 N--CA 1.476 0.853 0 C-N-CA 125.032 1.333 . . . . 0.0 111.802 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -77.33 -9.54 17.58 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 122.51 2.14 . . . . 0.0 113.69 175.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -111.22 129.88 55.82 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.487 1.04 . . . . 0.0 113.258 -173.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -65.31 -32.75 74.57 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -77.59 -32.26 53.55 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.025 0.83 . . . . 0.0 111.753 178.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -64.25 -39.45 93.98 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.155 0.582 . . . . 0.0 111.083 169.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 42.8 tp -66.17 -44.47 83.94 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 118.782 -0.628 . . . . 0.0 111.845 174.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -57.79 -43.42 85.62 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.596 1.089 . . . . 0.0 112.036 173.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.19 -28.19 69.5 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 173.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -79.99 -36.59 35.76 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.62 0.768 . . . . 0.0 113.047 171.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.09 -32.69 70.03 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 120.233 -1.542 . . . . 0.0 111.847 176.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.34 -17.1 57.99 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 173.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.3 -25.44 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.992 0.917 . . . . 0.0 112.108 172.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -94.59 -26.9 16.19 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.012 1.325 . . . . 0.0 113.501 -178.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.9 p -79.89 -22.28 43.0 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 113.302 0.852 . . . . 0.0 113.302 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.5 135.75 48.85 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.233 1.013 . . . . 0.0 111.968 174.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 47.3 tp -86.92 -29.84 21.81 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.278 1.031 . . . . 0.0 113.241 -177.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.252 1.222 0 C-N-CA 126.294 1.838 . . . . 0.0 112.566 -178.111 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.498 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -136.29 154.27 50.93 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.267 1.427 . . . . 0.0 112.015 -176.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.3 p -76.62 -15.72 59.75 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.9 -177.37 46.63 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.529 1.538 . . . . 0.0 112.857 177.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 m -134.74 149.19 50.42 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.375 1.47 . . . . 0.0 111.815 -178.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 m -73.98 -16.49 61.07 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -176.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.96 178.89 48.52 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 125.454 1.502 . . . . 0.0 112.84 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 51.7 mt -131.16 133.63 62.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 125.576 1.551 . . . . 0.0 109.221 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.2 mp -75.2 145.55 41.94 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.06 0.944 . . . . 0.0 112.34 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.2 mt -81.09 152.3 27.91 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.289 1.435 . . . . 0.0 109.005 168.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -130.4 146.7 52.01 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.33 1.052 . . . . 0.0 112.348 -173.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.2 t -70.53 129.38 90.19 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 124.293 1.037 . . . . 0.0 110.575 172.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -85.0 -5.86 9.58 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 124.025 3.15 . . . . 0.0 113.476 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.1 m -74.15 140.39 45.15 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.96 0.904 . . . . 0.0 112.377 -169.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -62.0 134.22 56.35 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.445 -0.785 . . . . 0.0 112.235 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.28 -5.42 43.21 Favored Glycine 0 CA--C 1.54 1.638 0 C-N-CA 124.696 1.141 . . . . 0.0 115.601 -176.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.3 t -86.66 156.42 20.0 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.211 1.404 . . . . 0.0 111.659 174.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -138.2 9.12 2.73 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.843 1.657 . . . . 0.0 112.817 -175.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -72.61 139.76 47.6 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.678 1.191 . . . . 0.0 113.298 -174.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.6 p -145.05 153.47 41.49 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.47 1.508 . . . . 0.0 112.491 172.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 t -160.31 148.2 12.92 Favored Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 124.683 1.193 . . . . 0.0 111.933 -177.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -75.42 -7.99 19.22 Favored 'Trans proline' 0 CA--C 1.544 1.006 0 C-N-CA 122.569 2.179 . . . . 0.0 113.841 174.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -113.25 131.83 55.76 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -172.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.91 -42.65 99.33 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.622 1.169 . . . . 0.0 113.206 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -76.6 -32.52 58.13 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.832 0.853 . . . . 0.0 111.744 -177.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -63.69 -38.37 90.87 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 118.691 0.678 . . . . 0.0 111.376 169.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.6 tp -66.18 -45.07 82.15 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 118.784 -0.627 . . . . 0.0 111.861 173.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -56.08 -43.18 77.75 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.614 1.097 . . . . 0.0 112.278 173.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.39 -20.5 66.41 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 174.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -88.74 -40.32 13.31 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.975 0.91 . . . . 0.0 112.494 169.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.2 mt -57.83 -34.95 70.24 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.556 -1.34 . . . . 0.0 112.538 -177.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -59.38 -22.62 61.64 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 174.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.5 -23.49 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.311 1.045 . . . . 0.0 112.35 175.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -96.96 -14.75 21.49 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.394 1.478 . . . . 0.0 113.825 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.6 p -125.45 2.45 7.68 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 114.83 1.419 . . . . 0.0 114.83 -170.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.12 146.09 44.42 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 121.083 -1.011 . . . . 0.0 112.918 176.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.5 mt 58.77 20.28 7.74 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 126.574 1.95 . . . . 0.0 115.46 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.6 t70 . . . . . 0 C--O 1.253 1.248 0 C-N-CA 125.076 1.351 . . . . 0.0 113.584 173.491 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.651 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -77.86 -12.79 60.01 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -174.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -148.25 168.4 22.62 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.592 1.557 . . . . 0.0 111.788 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.17 170.05 45.26 Favored Glycine 0 CA--C 1.54 1.601 0 C-N-CA 124.917 1.246 . . . . 0.0 114.316 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.0 p -78.52 -21.62 48.55 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -177.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 t -79.18 139.84 37.87 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.852 0.861 . . . . 0.0 112.258 177.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.93 -5.48 80.86 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.729 1.157 . . . . 0.0 115.118 175.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.2 pt -134.29 156.4 40.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-N 118.609 1.204 . . . . 0.0 114.046 -169.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 mp -74.58 156.47 36.76 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.669 1.588 . . . . 0.0 111.425 169.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.1 mt -76.39 152.93 36.11 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.205 1.002 . . . . 0.0 108.892 167.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -124.05 150.22 45.21 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 177.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.5 t -65.0 133.4 95.76 Favored Pre-proline 0 CA--C 1.553 1.079 0 C-N-CA 125.544 1.538 . . . . 0.0 111.773 172.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -84.65 -13.83 6.84 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 124.025 3.15 . . . . 0.0 114.122 -176.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.2 m -70.99 140.98 51.01 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.871 0.869 . . . . 0.0 112.388 -171.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -60.83 134.38 57.03 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.731 0.813 . . . . 0.0 112.339 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.12 -6.01 45.66 Favored Glycine 0 CA--C 1.541 1.678 0 C-N-CA 124.777 1.179 . . . . 0.0 115.484 -176.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.7 t -93.14 148.5 21.97 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.455 1.502 . . . . 0.0 111.11 174.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -141.07 20.0 2.28 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.14 1.376 . . . . 0.0 112.524 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -60.58 141.94 56.05 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.416 1.086 . . . . 0.0 111.745 175.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.0 p -139.55 152.41 46.87 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.389 1.076 . . . . 0.0 113.514 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -161.32 147.89 11.45 Favored Pre-proline 0 N--CA 1.475 0.808 0 C-N-CA 124.993 1.317 . . . . 0.0 111.142 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -78.57 -7.27 15.75 Favored 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 122.372 2.048 . . . . 0.0 114.025 177.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -114.01 130.95 56.51 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.695 1.134 . . . . 0.0 113.259 -175.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -31.81 73.17 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 177.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -74.07 -36.61 64.33 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.489 1.04 . . . . 0.0 111.597 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.67 -33.58 76.22 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.517 0.727 . . . . 0.0 111.503 172.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 45.9 tp -69.96 -46.57 64.95 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 118.968 -0.539 . . . . 0.0 111.727 173.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -55.7 -43.84 76.84 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 118.956 0.798 . . . . 0.0 112.142 174.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.47 -29.17 68.88 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.0 0.92 . . . . 0.0 113.447 173.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -80.82 -33.72 34.49 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 118.92 0.782 . . . . 0.0 112.891 171.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 76.6 mt -57.99 -33.7 69.18 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 120.667 1.576 . . . . 0.0 111.693 175.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -60.09 -21.82 61.99 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 173.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.17 -24.53 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 119.24 0.927 . . . . 0.0 112.016 173.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -95.89 -38.13 10.4 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.242 1.417 . . . . 0.0 112.699 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.9 p -88.11 -25.74 22.84 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -177.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 51.32 31.71 7.42 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.945 1.698 . . . . 0.0 114.061 -172.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -70.4 -40.66 73.77 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.017 1.327 . . . . 0.0 113.146 -170.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 C--O 1.251 1.166 0 C-N-CA 125.949 1.7 . . . . 0.0 112.852 -173.762 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.661 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 m -72.22 152.38 42.26 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.478 1.111 . . . . 0.0 112.92 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t 57.96 -172.65 0.09 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.962 1.705 . . . . 0.0 114.27 -176.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.74 18.48 80.07 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.83 1.205 . . . . 0.0 114.988 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.0 m -61.27 146.84 46.51 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.208 1.403 . . . . 0.0 112.991 -178.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.2 p -76.58 156.95 32.37 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.386 1.075 . . . . 0.0 113.382 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.41 13.67 54.25 Favored Glycine 0 N--CA 1.472 1.072 0 C-N-CA 125.292 1.425 . . . . 0.0 116.102 -176.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 37.7 pt -127.08 156.81 38.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.599 1.16 . . . . 0.0 113.571 -168.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.4 mt -78.18 160.43 27.99 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.099 1.359 . . . . 0.0 112.854 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.0 mt -82.67 148.29 28.01 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.216 1.406 . . . . 0.0 108.579 167.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -115.98 148.98 39.53 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.621 1.169 . . . . 0.0 112.117 -178.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.4 t -68.46 132.73 91.19 Favored Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 124.482 1.113 . . . . 0.0 111.596 172.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -82.95 -14.64 8.57 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 123.838 3.025 . . . . 0.0 113.931 -177.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.5 m -72.06 140.44 48.97 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.972 0.909 . . . . 0.0 112.41 -172.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -63.26 137.2 58.12 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.879 0.872 . . . . 0.0 112.57 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.37 -6.19 38.99 Favored Glycine 0 CA--C 1.541 1.687 0 C-N-CA 124.832 1.206 . . . . 0.0 115.676 -177.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.3 t -84.85 151.73 24.1 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.31 1.444 . . . . 0.0 111.56 175.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -130.99 8.73 4.81 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.973 1.709 . . . . 0.0 113.642 -177.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -68.73 141.03 55.38 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.682 1.193 . . . . 0.0 113.158 -176.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.4 p -145.08 150.53 36.99 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.164 1.386 . . . . 0.0 112.429 172.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -158.77 147.79 14.48 Favored Pre-proline 0 N--CA 1.476 0.871 0 C-N-CA 124.979 1.311 . . . . 0.0 111.58 -175.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -78.13 -8.64 16.51 Favored 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 122.302 2.001 . . . . 0.0 113.757 177.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -113.06 129.71 56.41 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.24 1.016 . . . . 0.0 113.118 -172.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -65.57 -31.8 73.04 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -77.29 -34.5 55.54 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.91 0.777 . . . . 0.0 111.407 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.4 -38.83 92.41 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.156 0.582 . . . . 0.0 111.074 170.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.6 tp -64.66 -47.26 79.12 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 118.726 -0.654 . . . . 0.0 111.857 174.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -57.42 -43.56 83.88 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.563 1.074 . . . . 0.0 112.175 175.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.91 -27.99 69.2 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 173.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -80.18 -34.97 37.06 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.634 0.774 . . . . 0.0 113.075 171.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.5 mt -58.51 -34.03 70.5 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 120.764 1.62 . . . . 0.0 111.616 175.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.48 -11.56 24.72 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.03 1.332 . . . . 0.0 114.425 174.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -76.41 -24.24 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.143 0.977 . . . . 0.0 112.292 171.167 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -96.1 -18.18 20.35 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.239 1.416 . . . . 0.0 113.773 -177.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.0 p -81.97 -5.07 58.02 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.79 152.68 46.6 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.744 1.617 . . . . 0.0 112.096 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -101.18 -5.69 25.26 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.993 1.317 . . . . 0.0 113.461 -176.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 C--O 1.253 1.285 0 C-N-CA 125.653 1.581 . . . . 0.0 113.95 -179.535 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 112.076 -0.41 . . . . 0.0 112.076 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 t -148.24 153.69 39.06 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.113 1.365 . . . . 0.0 111.608 178.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 m -81.16 36.25 0.41 Allowed 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.687 1.595 . . . . 0.0 114.249 -172.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.16 -136.04 49.91 Favored Glycine 0 CA--C 1.534 1.265 0 O-C-N 121.109 -0.994 . . . . 0.0 112.433 -176.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 m -59.36 -30.73 68.62 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.913 0.885 . . . . 0.0 112.952 174.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 m -78.8 -2.14 38.19 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.908 1.283 . . . . 0.0 113.564 175.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.75 -11.48 80.76 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 124.583 1.087 . . . . 0.0 114.178 171.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.4 mt -84.63 124.2 39.69 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 124.935 1.294 . . . . 0.0 109.397 175.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.57 139.47 31.41 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.318 1.047 . . . . 0.0 111.853 178.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.9 mt -97.36 147.66 23.95 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.298 1.839 . . . . 0.0 108.407 168.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -125.32 147.1 49.27 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.253 1.021 . . . . 0.0 112.491 -173.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 19.0 t -69.57 128.22 92.26 Favored Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 124.453 1.101 . . . . 0.0 110.989 175.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 28.9 Cg_exo -71.98 -18.81 27.42 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.281 2.654 . . . . 0.0 114.578 -178.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.9 m -66.92 129.4 39.78 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.133 0.973 . . . . 0.0 111.554 -173.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.0 -31.9 72.78 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -170.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.16 -1.85 90.19 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 124.702 1.144 . . . . 0.0 115.224 175.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.1 t -95.48 170.05 9.62 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.784 1.633 . . . . 0.0 112.878 -174.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -141.17 4.54 1.84 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.293 1.837 . . . . 0.0 112.792 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -76.32 140.12 41.35 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.331 1.052 . . . . 0.0 113.719 -171.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.0 p -145.26 154.17 42.08 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.347 1.459 . . . . 0.0 112.202 170.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.2 t -158.94 149.15 15.44 Favored Pre-proline 0 N--CA 1.477 0.911 0 C-N-CA 124.818 1.247 . . . . 0.0 111.854 -176.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.75 -8.56 19.28 Favored 'Trans proline' 0 CA--C 1.546 1.087 0 C-N-CA 122.628 2.218 . . . . 0.0 113.566 172.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -111.18 121.31 44.96 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.506 1.123 . . . . 0.0 112.942 -171.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -62.6 -26.09 68.43 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 176.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -85.37 -31.68 22.82 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.852 0.861 . . . . 0.0 111.967 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -67.96 -35.75 78.92 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.416 0.553 . . . . 0.0 111.149 169.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.5 tp -64.23 -47.02 81.27 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.123 0.569 . . . . 0.0 111.905 172.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -56.64 -43.91 80.76 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 119.009 0.822 . . . . 0.0 112.399 173.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.33 -19.31 65.9 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 174.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -90.88 -38.49 12.88 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.788 1.235 . . . . 0.0 112.712 171.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 76.4 mt -59.05 -27.93 65.97 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.386 -1.446 . . . . 0.0 113.297 -175.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.1 pttm -62.12 -19.37 62.94 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.961 1.304 . . . . 0.0 114.258 173.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -24.66 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.897 1.279 . . . . 0.0 112.558 -177.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -86.13 -9.79 56.0 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 -173.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 74.4 p -90.69 -8.05 50.95 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.161 0.985 . . . . 0.0 113.547 174.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.41 153.08 40.58 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.63 1.172 . . . . 0.0 112.716 176.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.0 tp -76.72 -31.3 57.08 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.289 1.035 . . . . 0.0 113.157 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 C--O 1.254 1.339 0 C-N-CA 126.358 1.863 . . . . 0.0 112.625 -178.647 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.445 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.4 p -66.6 -28.51 68.56 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.84 0.856 . . . . 0.0 112.477 169.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.7 m -124.91 159.78 30.38 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 127.161 2.184 . . . . 0.0 110.303 168.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.92 -161.86 46.56 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 124.102 0.858 . . . . 0.0 114.401 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.9 p -77.71 163.65 25.98 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.989 1.316 . . . . 0.0 113.177 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.4 m -137.79 151.37 48.07 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.38 1.472 . . . . 0.0 111.47 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.66 54.01 3.68 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 125.401 1.477 . . . . 0.0 114.287 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 39.2 mm -69.08 131.1 34.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 125.175 1.39 . . . . 0.0 110.615 -177.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.01 131.83 42.64 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.641 1.176 . . . . 0.0 111.425 178.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.0 mt -94.18 138.68 31.93 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.809 1.644 . . . . 0.0 108.488 168.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -108.57 146.74 32.84 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.422 1.089 . . . . 0.0 111.868 -175.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.1 t -67.62 130.12 93.24 Favored Pre-proline 0 CA--C 1.552 1.048 0 C-N-CA 124.074 0.949 . . . . 0.0 110.64 169.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -83.07 -6.25 11.24 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 C-N-CA 123.95 3.1 . . . . 0.0 113.563 -178.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.0 m -75.38 139.67 42.52 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.689 0.796 . . . . 0.0 112.153 -169.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -62.38 134.13 56.03 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.563 0.745 . . . . 0.0 112.176 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.28 -4.86 46.57 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 124.677 1.132 . . . . 0.0 115.658 -177.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.9 t -84.28 157.57 21.5 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.022 1.329 . . . . 0.0 111.728 174.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -136.81 6.99 2.95 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.881 1.672 . . . . 0.0 112.826 -176.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -73.06 141.21 47.6 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.575 1.15 . . . . 0.0 113.377 -174.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.6 p -145.63 154.09 41.75 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.581 1.152 . . . . 0.0 112.668 169.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.3 t -158.14 147.58 14.97 Favored Pre-proline 0 N--CA 1.476 0.832 0 C-N-CA 125.158 1.383 . . . . 0.0 111.303 -178.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -76.34 -5.35 16.09 Favored 'Trans proline' 0 CA--C 1.544 1.019 0 C-N-CA 122.539 2.159 . . . . 0.0 114.152 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -115.3 131.89 56.79 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.65 1.114 . . . . 0.0 113.622 -174.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -54.73 -44.83 73.89 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.431 1.492 . . . . 0.0 112.99 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -81.12 -28.41 35.15 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.357 0.663 . . . . 0.0 111.815 -173.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.85 -37.05 85.16 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.767 -0.583 . . . . 0.0 110.745 168.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.8 tp -66.56 -45.53 79.04 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.868 -0.587 . . . . 0.0 111.648 173.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -57.3 -41.58 80.13 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.45 1.023 . . . . 0.0 112.43 174.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.46 -18.7 65.52 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 173.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -89.7 -37.92 14.23 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.201 1.001 . . . . 0.0 112.422 169.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.2 mt -56.04 -35.87 67.37 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 120.472 1.487 . . . . 0.0 112.532 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -61.07 -21.72 63.92 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.66 1.355 . . . . 0.0 114.66 175.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.15 -23.69 33.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.159 0.984 . . . . 0.0 112.339 175.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -92.57 -15.78 26.5 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.95 1.3 . . . . 0.0 113.726 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.9 p -107.91 -26.18 10.85 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.602 1.161 . . . . 0.0 113.655 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.43 153.02 43.43 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.205 1.002 . . . . 0.0 112.522 173.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -153.14 156.28 38.34 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.318 1.847 . . . . 0.0 110.941 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 126.897 2.079 . . . . 0.0 112.687 178.829 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.589 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.8 m 53.41 37.28 25.15 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.112 1.365 . . . . 0.0 113.482 -174.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.1 p -143.45 165.77 26.63 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.159 1.784 . . . . 0.0 112.449 -169.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.94 -135.58 28.25 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 123.772 0.701 . . . . 0.0 112.859 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 p -77.89 36.78 0.23 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.812 1.645 . . . . 0.0 114.155 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.0 p -73.61 -19.83 60.76 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.251 1.421 . . . . 0.0 114.404 -178.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.4 6.83 81.63 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 124.468 1.032 . . . . 0.0 114.469 -170.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.5 mt 64.56 128.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 128.211 2.604 . . . . 0.0 112.794 -171.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -82.5 135.3 35.14 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.225 1.01 . . . . 0.0 111.849 -178.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.5 mt -95.0 150.81 19.76 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.333 1.853 . . . . 0.0 108.299 168.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -127.78 151.83 48.53 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.626 0.972 . . . . 0.0 113.626 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.9 t -69.19 135.34 89.18 Favored Pre-proline 0 CA--C 1.554 1.114 0 C-N-CA 125.52 1.528 . . . . 0.0 111.453 174.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -82.29 -13.79 9.79 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 124.002 3.134 . . . . 0.0 114.07 -175.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 95.1 m -68.11 133.77 49.48 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.027 0.931 . . . . 0.0 111.655 -175.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -66.4 -32.26 73.54 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -172.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.99 4.57 74.97 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 125.057 1.313 . . . . 0.0 115.227 174.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.4 t -117.72 158.48 24.64 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.55 1.94 . . . . 0.0 112.001 -172.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -144.1 16.91 1.74 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.283 1.433 . . . . 0.0 112.614 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -62.92 143.05 58.04 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.193 0.997 . . . . 0.0 112.317 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.1 p -143.7 151.57 40.22 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.593 1.157 . . . . 0.0 113.15 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 t -160.37 148.41 13.01 Favored Pre-proline 0 N--CA 1.475 0.824 0 C-N-CA 125.252 1.421 . . . . 0.0 111.1 179.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -78.26 -7.2 16.03 Favored 'Trans proline' 0 CA--C 1.544 0.986 0 C-N-CA 122.299 1.999 . . . . 0.0 113.214 172.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -104.59 125.95 51.22 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.467 1.107 . . . . 0.0 113.199 -173.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -69.41 -20.18 63.8 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -91.86 -34.17 14.64 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.33 1.052 . . . . 0.0 111.906 176.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.82 -37.31 81.57 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.172 0.896 . . . . 0.0 111.562 170.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.3 tp -65.68 -44.54 85.91 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 122.881 0.473 . . . . 0.0 112.179 173.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -62.83 -32.38 73.58 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.93 -36.16 75.1 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.414 1.085 . . . . 0.0 112.562 169.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -73.22 -37.28 66.46 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.458 -0.776 . . . . 0.0 112.993 175.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 79.5 mt -56.26 -31.22 63.38 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 120.058 1.299 . . . . 0.0 112.786 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -65.45 -22.67 66.78 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.722 1.209 . . . . 0.0 113.502 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.93 -26.15 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.161 0.985 . . . . 0.0 112.151 177.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -83.11 -2.22 54.84 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.093 1.357 . . . . 0.0 114.006 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.1 t -123.52 8.68 8.97 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.302 1.441 . . . . 0.0 112.921 169.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.86 168.47 19.22 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.127 1.371 . . . . 0.0 112.415 173.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.8 tp -142.69 135.48 28.05 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.579 1.551 . . . . 0.0 110.368 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--O 1.254 1.302 0 C-N-CA 126.509 1.924 . . . . 0.0 112.519 179.337 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.492 0 N-CA-C 111.868 -0.493 . . . . 0.0 111.868 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.4 p -146.59 161.51 40.35 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.416 1.486 . . . . 0.0 112.334 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.5 m 61.29 167.9 0.1 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 126.672 1.989 . . . . 0.0 115.057 -174.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.67 141.21 34.59 Favored Glycine 0 CA--C 1.536 1.405 0 O-C-N 121.208 -0.933 . . . . 0.0 113.688 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.3 p -79.65 -7.52 58.61 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.036 1.334 . . . . 0.0 114.287 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.9 p -78.65 -1.51 34.64 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.114 1.766 . . . . 0.0 114.865 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.93 -170.88 40.31 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.009 1.29 . . . . 0.0 114.53 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 38.8 mm -104.73 140.65 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.647 1.579 . . . . 0.0 110.606 -173.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.2 mp -71.93 144.94 48.76 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.611 1.164 . . . . 0.0 112.362 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.0 mt -80.94 153.4 27.55 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.664 1.585 . . . . 0.0 109.14 168.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -126.06 151.35 47.27 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.224 1.01 . . . . 0.0 113.35 177.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.3 t -68.78 133.36 90.43 Favored Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 125.439 1.496 . . . . 0.0 111.267 173.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -84.91 -8.17 9.19 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 124.222 3.281 . . . . 0.0 114.052 -176.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.0 m -71.61 133.77 45.94 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.802 0.841 . . . . 0.0 111.185 -175.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -70.59 -24.62 62.79 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.536 1.31 . . . . 0.0 114.536 -170.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.96 8.49 76.05 Favored Glycine 0 CA--C 1.539 1.59 0 C-N-CA 125.077 1.323 . . . . 0.0 114.808 172.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.2 t -128.9 158.04 39.9 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.788 2.035 . . . . 0.0 112.033 -169.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -145.26 16.22 1.51 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.456 1.503 . . . . 0.0 112.855 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -62.26 144.38 55.66 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.741 1.216 . . . . 0.0 112.733 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.6 p -141.52 151.27 43.13 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.089 1.356 . . . . 0.0 112.998 175.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 t -160.04 147.71 12.9 Favored Pre-proline 0 N--CA 1.476 0.85 0 C-N-CA 124.71 1.204 . . . . 0.0 111.964 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -76.33 -7.42 17.94 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 122.626 2.217 . . . . 0.0 113.684 173.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -114.79 129.85 56.76 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.387 1.075 . . . . 0.0 113.439 -172.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -68.87 -30.89 69.49 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -78.28 -35.23 48.28 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.976 0.807 . . . . 0.0 111.195 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.93 -38.16 89.91 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 118.486 0.585 . . . . 0.0 111.231 169.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 45.9 tp -65.38 -45.59 83.46 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 118.596 -0.716 . . . . 0.0 111.846 173.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -56.11 -43.88 78.56 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 120.021 1.282 . . . . 0.0 112.454 174.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.85 -15.44 61.87 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 173.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -97.9 -30.0 12.99 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.551 1.54 . . . . 0.0 113.27 169.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.53 -34.61 78.66 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 119.672 -1.893 . . . . 0.0 112.008 176.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -60.98 -24.14 65.89 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 176.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.6 t -62.94 -31.46 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 126.252 1.821 . . . . 0.0 111.52 175.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -92.36 -28.04 17.16 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.629 1.172 . . . . 0.0 113.954 -176.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 t -85.71 -17.53 35.66 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.89 152.86 38.62 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.59 1.156 . . . . 0.0 112.968 175.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.2 tp -122.81 38.12 4.25 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.833 1.653 . . . . 0.0 112.009 -174.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.253 1.243 0 C-N-CA 126.464 1.906 . . . . 0.0 112.706 -179.139 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.545 0 N-CA-C 111.551 -0.619 . . . . 0.0 111.551 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.8 p -65.98 -17.58 64.77 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -174.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 m -74.29 -11.52 60.29 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.961 1.304 . . . . 0.0 113.916 173.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.71 173.28 49.98 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 124.82 1.2 . . . . 0.0 114.483 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.0 m -65.02 149.59 49.58 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.693 1.197 . . . . 0.0 113.022 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.0 p -78.97 -24.43 43.83 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.96 149.93 45.24 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.389 0.995 . . . . 0.0 113.295 174.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.4 pt -132.67 156.99 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.6 1.56 . . . . 0.0 112.07 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.2 mp -75.47 141.32 43.13 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.985 0.914 . . . . 0.0 111.956 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.6 mt -74.77 151.44 39.12 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.608 1.563 . . . . 0.0 109.079 168.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -133.43 145.52 50.35 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.827 0.851 . . . . 0.0 112.506 -168.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.0 t -70.62 129.43 90.02 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 124.175 0.99 . . . . 0.0 111.14 176.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -83.55 -6.36 10.81 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 124.191 3.261 . . . . 0.0 113.415 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.0 m -72.95 139.63 46.89 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.087 0.955 . . . . 0.0 112.055 -169.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -61.97 133.25 55.13 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.527 -0.733 . . . . 0.0 112.178 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.16 -4.45 47.55 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 124.681 1.134 . . . . 0.0 115.65 -177.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.5 t -85.51 157.19 20.49 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.187 1.395 . . . . 0.0 111.766 175.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -138.19 8.65 2.71 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.748 1.619 . . . . 0.0 112.834 -175.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -72.11 141.22 49.18 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.651 1.18 . . . . 0.0 113.478 -174.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.2 p -145.36 154.28 42.13 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.082 1.353 . . . . 0.0 112.818 172.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.8 t -159.4 148.12 14.01 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 124.877 1.271 . . . . 0.0 112.052 -176.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -76.26 -8.72 18.77 Favored 'Trans proline' 0 CA--C 1.545 1.062 0 C-N-CA 122.634 2.223 . . . . 0.0 113.835 174.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -111.58 128.61 56.09 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 119.635 1.107 . . . . 0.0 113.077 -174.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -55.39 -42.52 74.13 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.059 1.344 . . . . 0.0 112.783 174.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -77.37 -29.3 53.25 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 121.784 -0.572 . . . . 0.0 112.293 -174.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -64.85 -40.18 94.74 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.215 1.006 . . . . 0.0 110.745 169.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.9 tp -66.74 -42.79 85.68 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.001 0.52 . . . . 0.0 111.815 175.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -58.32 -44.43 88.64 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.138 0.881 . . . . 0.0 112.101 173.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.18 -31.3 72.41 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.742 0.817 . . . . 0.0 113.161 173.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -75.87 -38.62 57.74 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.324 -0.86 . . . . 0.0 112.848 173.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 84.2 mt -58.3 -32.24 68.26 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 120.304 1.411 . . . . 0.0 112.171 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.88 -22.7 65.77 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.593 1.157 . . . . 0.0 113.83 173.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -28.73 45.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 119.438 1.017 . . . . 0.0 111.989 176.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -86.19 -28.24 24.02 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.543 1.137 . . . . 0.0 112.818 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.5 p -88.7 -34.29 17.25 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.918 0.887 . . . . 0.0 113.007 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.35 -12.46 61.13 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 176.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.6 tp -68.13 -24.22 64.99 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.026 1.33 . . . . 0.0 112.84 173.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.4 t0 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 127.427 2.291 . . . . 0.0 115.007 178.81 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 112.096 -0.402 . . . . 0.0 112.096 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -79.35 48.7 0.91 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.776 1.631 . . . . 0.0 113.306 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 m -80.71 50.21 1.3 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.576 1.95 . . . . 0.0 113.439 -169.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.08 -163.92 54.3 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.85 1.214 . . . . 0.0 113.883 -174.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.8 m -65.8 141.51 58.28 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.551 1.14 . . . . 0.0 113.059 -176.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 p -93.17 -10.96 33.97 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.217 1.407 . . . . 0.0 114.784 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.16 154.69 53.18 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.511 1.053 . . . . 0.0 113.888 178.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.3 pt -90.5 147.02 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 125.009 1.324 . . . . 0.0 112.257 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 mp -97.13 150.9 20.33 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.873 1.669 . . . . 0.0 112.268 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.5 mt -82.01 152.77 26.52 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.438 1.495 . . . . 0.0 108.774 167.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -124.37 147.8 47.98 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.5 1.12 . . . . 0.0 112.452 -175.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.0 t -67.79 133.39 92.31 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 124.46 1.104 . . . . 0.0 111.6 176.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -79.82 -8.91 14.54 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 123.82 3.013 . . . . 0.0 113.888 -177.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.9 m -75.49 130.99 39.79 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.004 0.82 . . . . 0.0 111.316 -176.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.88 -32.74 74.21 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -171.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.28 0.29 89.05 Favored Glycine 0 CA--C 1.54 1.611 0 C-N-CA 124.732 1.158 . . . . 0.0 115.113 175.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.6 t -101.45 166.89 10.49 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.109 1.764 . . . . 0.0 112.681 -173.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -140.82 6.03 2.0 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.151 1.781 . . . . 0.0 112.903 -177.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -74.02 143.08 45.69 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.7 1.2 . . . . 0.0 113.734 -173.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.1 p -145.24 153.86 41.76 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.354 1.461 . . . . 0.0 112.472 171.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 t -159.39 147.8 13.76 Favored Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 124.799 1.24 . . . . 0.0 112.006 -178.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -75.47 -9.21 20.04 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 122.604 2.202 . . . . 0.0 114.131 175.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -112.64 125.14 53.97 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.94 1.245 . . . . 0.0 113.172 -175.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.437 ' HD3' ' H ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -55.23 -35.26 64.74 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.894 1.278 . . . . 0.0 113.35 171.379 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -71.24 -38.12 71.95 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.151 0.887 . . . . 0.0 112.066 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -38.33 86.73 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.725 1.21 . . . . 0.0 110.411 176.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.1 tp -64.95 -48.21 74.9 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.448 0.699 . . . . 0.0 111.81 174.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -57.98 -42.53 85.28 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.402 1.001 . . . . 0.0 112.049 175.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.89 -27.88 69.67 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 173.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -80.61 -34.07 35.4 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.222 1.009 . . . . 0.0 113.063 172.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.6 mt -58.29 -31.96 67.99 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 120.657 1.571 . . . . 0.0 112.138 176.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -56.64 -27.35 58.27 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.883 1.273 . . . . 0.0 113.502 172.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.98 -23.14 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 124.523 1.129 . . . . 0.0 112.511 177.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -96.87 -30.83 12.91 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.039 1.336 . . . . 0.0 113.125 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.6 p -83.68 -29.72 27.38 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.23 143.29 41.09 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.718 0.807 . . . . 0.0 111.752 170.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.2 mt -121.67 3.2 10.12 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.182 1.393 . . . . 0.0 113.79 -176.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--O 1.253 1.256 0 C-N-CA 126.45 1.9 . . . . 0.0 112.62 -179.234 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.693 0 N-CA-C 111.949 -0.461 . . . . 0.0 111.949 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 t -148.77 150.32 32.89 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.044 1.338 . . . . 0.0 111.825 178.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.8 p -84.76 -8.25 58.9 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.285 1.434 . . . . 0.0 113.562 171.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.51 140.81 41.52 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.386 0.993 . . . . 0.0 113.597 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 t -155.01 164.34 39.04 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.587 1.555 . . . . 0.0 111.407 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 m -68.9 -15.36 63.47 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.868 1.267 . . . . 0.0 113.79 176.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.03 -178.48 46.8 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 125.335 1.445 . . . . 0.0 113.086 176.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.0 pt -127.75 149.61 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 125.463 1.505 . . . . 0.0 111.158 176.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 mp -88.11 140.46 29.46 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.984 0.897 . . . . 0.0 112.687 -175.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.7 mt -93.6 153.51 18.36 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 127.441 2.296 . . . . 0.0 108.912 168.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -123.75 147.46 47.48 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.414 1.086 . . . . 0.0 112.447 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.6 t -68.7 130.66 91.69 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 124.39 1.076 . . . . 0.0 110.692 171.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -84.15 -6.5 10.25 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 124.144 3.229 . . . . 0.0 113.674 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.3 m -75.58 138.89 41.76 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.776 0.83 . . . . 0.0 112.137 -169.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -62.63 134.0 55.7 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.551 0.74 . . . . 0.0 112.092 177.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.66 -5.84 43.5 Favored Glycine 0 CA--C 1.541 1.675 0 C-N-CA 124.683 1.135 . . . . 0.0 115.54 -176.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.8 t -91.11 151.74 20.88 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.47 1.508 . . . . 0.0 111.285 173.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -135.73 10.49 3.39 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.634 1.574 . . . . 0.0 112.926 -173.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -70.45 141.53 52.06 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.01 1.324 . . . . 0.0 113.23 -175.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.0 p -145.56 151.52 38.26 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.257 1.423 . . . . 0.0 112.646 173.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -160.54 146.43 11.43 Favored Pre-proline 0 N--CA 1.478 0.973 0 C-N-CA 124.705 1.202 . . . . 0.0 111.969 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -76.3 -9.02 18.89 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 122.828 2.352 . . . . 0.0 113.334 172.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -103.69 113.06 26.29 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.111 1.364 . . . . 0.0 112.35 -174.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -59.3 -35.33 73.59 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 121.225 -0.922 . . . . 0.0 113.42 178.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -71.7 -32.09 67.45 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.796 0.838 . . . . 0.0 112.498 178.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -73.22 -35.25 66.28 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.789 0.835 . . . . 0.0 111.47 172.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.0 tp -64.54 -45.31 87.7 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 118.918 -0.563 . . . . 0.0 111.712 170.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -55.08 -45.12 75.35 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.556 1.071 . . . . 0.0 112.318 173.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.15 -19.04 65.79 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 174.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -93.44 -31.24 14.68 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.547 1.539 . . . . 0.0 112.923 172.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.65 -36.21 82.1 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 119.884 -1.76 . . . . 0.0 111.874 177.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -61.79 -23.83 66.46 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.45 -27.31 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 125.563 1.545 . . . . 0.0 111.31 175.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -95.35 -9.95 31.48 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.376 1.471 . . . . 0.0 114.36 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 79.9 p -119.46 -21.92 7.22 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -175.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.37 148.45 50.68 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.937 0.895 . . . . 0.0 112.518 175.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -153.96 158.23 40.33 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.419 1.887 . . . . 0.0 110.815 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.253 1.244 0 C-N-CA 126.804 2.042 . . . . 0.0 112.644 178.197 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 N-CA-C 111.953 -0.459 . . . . 0.0 111.953 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.3 t -148.84 149.5 31.41 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.069 1.348 . . . . 0.0 111.954 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.1 m -83.05 -2.85 56.41 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.941 1.296 . . . . 0.0 113.453 172.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.34 20.03 77.57 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.383 0.992 . . . . 0.0 114.412 -177.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -63.62 153.24 36.57 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.6 1.56 . . . . 0.0 113.468 -176.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.7 p -73.27 -12.32 60.81 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.62 169.15 37.79 Favored Glycine 0 CA--C 1.533 1.207 0 C-N-CA 126.078 1.799 . . . . 0.0 112.256 174.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.5 pt -81.29 148.0 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 124.59 1.156 . . . . 0.0 112.09 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.6 mp -89.57 145.85 24.98 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.079 1.352 . . . . 0.0 112.154 177.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.2 mt -87.66 152.31 22.26 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.176 1.79 . . . . 0.0 108.548 168.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -126.04 152.47 45.75 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 176.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.5 t -67.86 132.99 92.21 Favored Pre-proline 0 CA--C 1.556 1.184 0 C-N-CA 125.467 1.507 . . . . 0.0 111.429 173.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -87.62 -12.33 4.53 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 124.139 3.226 . . . . 0.0 114.028 -176.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.9 m -69.77 142.76 53.16 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.928 0.891 . . . . 0.0 112.411 -171.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.62 134.46 57.09 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.681 0.793 . . . . 0.0 112.424 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.31 -3.53 52.83 Favored Glycine 0 CA--C 1.541 1.666 0 C-N-CA 124.644 1.116 . . . . 0.0 115.465 -176.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.9 t -100.21 147.42 25.74 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.927 1.691 . . . . 0.0 111.237 176.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -144.08 24.78 1.62 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.165 1.386 . . . . 0.0 112.457 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -60.1 142.63 53.87 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.339 1.056 . . . . 0.0 111.495 173.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.5 p -142.79 150.63 40.25 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.505 1.122 . . . . 0.0 113.541 178.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -161.54 148.05 11.27 Favored Pre-proline 0 N--CA 1.476 0.845 0 C-N-CA 125.147 1.379 . . . . 0.0 111.427 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -76.58 -6.94 17.44 Favored 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 122.642 2.228 . . . . 0.0 113.39 172.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -107.87 121.66 45.21 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.653 1.181 . . . . 0.0 112.691 -173.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -61.4 -26.51 67.9 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 176.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -85.2 -31.76 23.03 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.853 0.861 . . . . 0.0 112.176 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -68.5 -35.29 77.31 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 121.761 -0.587 . . . . 0.0 111.051 169.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.1 tp -65.41 -45.22 84.79 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 118.985 -0.531 . . . . 0.0 111.771 172.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -57.46 -43.88 84.36 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.279 0.945 . . . . 0.0 112.333 173.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.62 -20.47 65.7 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 173.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -90.23 -38.46 13.43 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.117 0.967 . . . . 0.0 112.637 169.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 71.6 mt -58.17 -35.39 71.51 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.389 -1.444 . . . . 0.0 112.407 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -59.32 -22.19 60.88 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 173.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.75 -23.24 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 124.141 0.977 . . . . 0.0 112.098 173.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -102.17 -39.93 7.03 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.889 1.676 . . . . 0.0 112.738 175.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.9 p -95.23 -12.75 25.75 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -169.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.61 164.67 20.72 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.861 1.265 . . . . 0.0 113.155 -178.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.7 tp -149.26 138.8 21.68 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.173 1.789 . . . . 0.0 110.019 178.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 . . . . . 0 C--O 1.252 1.227 0 C-N-CA 126.374 1.87 . . . . 0.0 113.317 178.504 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.64 0 N-CA-C 111.653 -0.579 . . . . 0.0 111.653 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 m -79.62 37.7 0.35 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.744 1.618 . . . . 0.0 114.279 -173.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 m -75.82 -15.65 60.21 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.305 1.442 . . . . 0.0 114.562 -172.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.05 179.72 43.86 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 124.873 1.225 . . . . 0.0 114.285 -176.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.2 p -85.39 158.04 20.35 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.274 1.429 . . . . 0.0 113.201 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.2 m -75.65 147.89 39.13 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.457 1.103 . . . . 0.0 112.719 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.14 -158.06 52.2 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.147 0.879 . . . . 0.0 114.151 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.3 pt -133.1 151.82 34.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.68 1.592 . . . . 0.0 111.735 177.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 mp -88.74 146.06 25.26 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.429 1.092 . . . . 0.0 112.111 176.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.6 mt -85.62 153.06 22.64 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.06 1.744 . . . . 0.0 108.9 168.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -125.67 146.41 49.74 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.499 1.12 . . . . 0.0 112.346 -175.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.5 t -69.51 132.81 89.2 Favored Pre-proline 0 CA--C 1.555 1.145 0 C-N-CA 124.499 1.12 . . . . 0.0 110.781 173.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -81.07 -12.93 11.64 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 123.833 3.022 . . . . 0.0 114.05 -174.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 96.3 m -69.99 132.11 45.42 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.902 0.881 . . . . 0.0 111.557 -175.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.41 -32.36 73.7 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -171.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.82 -0.57 89.56 Favored Glycine 0 CA--C 1.54 1.626 0 C-N-CA 124.845 1.212 . . . . 0.0 115.165 174.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.7 t -101.39 165.35 11.31 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.189 1.796 . . . . 0.0 112.499 -175.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -140.89 6.88 2.03 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.954 1.702 . . . . 0.0 112.796 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -75.49 140.9 43.1 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.699 1.2 . . . . 0.0 113.593 -172.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.5 p -145.28 152.35 39.78 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.476 1.51 . . . . 0.0 112.529 172.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.4 t -159.78 147.12 12.75 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 124.731 1.213 . . . . 0.0 111.827 -177.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -75.52 -7.26 18.55 Favored 'Trans proline' 0 CA--C 1.543 0.939 0 C-N-CA 122.726 2.284 . . . . 0.0 114.215 176.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -114.82 131.77 56.71 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.584 1.084 . . . . 0.0 113.514 -173.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -70.03 -25.98 63.83 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -84.21 -34.99 23.81 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.846 0.858 . . . . 0.0 111.034 176.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -61.92 -35.65 79.01 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 118.504 0.593 . . . . 0.0 111.541 169.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.3 tp -68.11 -46.9 69.65 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 118.761 -0.638 . . . . 0.0 111.79 173.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -56.65 -41.99 78.15 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.662 1.119 . . . . 0.0 112.701 175.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.74 -17.24 62.83 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 124.825 1.25 . . . . 0.0 114.25 172.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -95.6 -37.98 10.6 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.602 1.161 . . . . 0.0 112.855 169.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.8 mt -56.42 -35.64 68.04 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 120.548 1.522 . . . . 0.0 112.451 -178.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -59.55 -23.42 62.85 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 175.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -24.5 36.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.167 0.987 . . . . 0.0 112.191 176.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -92.79 -8.22 44.26 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.325 1.45 . . . . 0.0 113.95 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 76.5 p -124.16 -37.64 2.54 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -175.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.62 -24.2 18.0 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.956 1.302 . . . . 0.0 113.395 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 60.69 -20.73 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 129.211 3.005 . . . . 0.0 117.065 177.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 C--O 1.254 1.337 0 C-N-CA 126.812 2.045 . . . . 0.0 112.869 179.528 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.651 0 N-CA-C 111.996 -0.442 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -148.47 161.86 40.78 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.214 1.405 . . . . 0.0 111.767 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 m -140.76 153.89 46.06 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.795 1.638 . . . . 0.0 112.083 -175.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.87 21.12 79.99 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 123.934 0.778 . . . . 0.0 114.959 178.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -61.76 148.41 43.08 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.335 1.454 . . . . 0.0 113.655 -175.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 m -67.28 159.96 28.1 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.84 1.256 . . . . 0.0 113.097 177.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.74 36.47 42.51 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 123.678 0.656 . . . . 0.0 114.273 177.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 67.9 mt -57.26 132.89 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 125.623 1.569 . . . . 0.0 110.437 -178.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 mp -68.89 145.57 53.56 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.862 1.265 . . . . 0.0 113.19 -172.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.8 mt -86.52 153.31 21.94 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.636 1.974 . . . . 0.0 109.819 168.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.75 141.48 51.15 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.149 1.38 . . . . 0.0 111.665 -176.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.1 t -59.05 130.19 86.5 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 124.543 1.137 . . . . 0.0 111.449 171.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -79.11 -6.81 15.09 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.871 3.047 . . . . 0.0 113.494 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.7 m -76.32 138.04 40.24 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.667 0.787 . . . . 0.0 111.581 -174.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -61.59 129.89 43.27 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.609 0.764 . . . . 0.0 112.168 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.99 -3.14 47.34 Favored Glycine 0 CA--C 1.54 1.651 0 C-N-CA 124.697 1.142 . . . . 0.0 115.906 -178.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.5 t -87.36 126.52 34.91 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 119.184 1.492 . . . . 0.0 110.9 177.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -99.37 1.41 44.32 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.639 1.576 . . . . 0.0 114.103 -172.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -63.3 137.45 58.19 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 124.274 1.03 . . . . 0.0 113.251 -175.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.1 p -144.86 151.17 38.33 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.845 1.258 . . . . 0.0 112.589 173.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.4 t -158.64 146.9 13.88 Favored Pre-proline 0 N--CA 1.477 0.888 0 C-N-CA 124.833 1.253 . . . . 0.0 111.806 -177.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -76.01 -8.58 18.99 Favored 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 122.614 2.21 . . . . 0.0 113.09 172.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -107.4 117.6 34.52 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.194 1.398 . . . . 0.0 113.061 -172.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.95 -47.0 71.76 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.716 1.607 . . . . 0.0 112.626 177.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -72.79 -28.97 62.9 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -177.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -71.12 -35.18 71.66 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 121.659 -0.65 . . . . 0.0 111.615 170.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.4 tp -64.66 -45.52 86.38 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 118.841 -0.6 . . . . 0.0 111.618 170.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -57.47 -42.19 82.11 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.496 1.043 . . . . 0.0 112.144 174.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.91 -13.48 59.77 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 172.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -97.15 -29.64 13.48 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.726 1.61 . . . . 0.0 113.0 170.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.16 -37.17 81.93 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 119.924 -1.735 . . . . 0.0 112.191 176.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -62.64 -21.31 65.58 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.1 t -62.37 -31.14 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.747 1.619 . . . . 0.0 111.045 173.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -92.24 -28.25 17.12 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.776 1.23 . . . . 0.0 113.434 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.3 p -82.19 -30.66 30.79 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.815 0.734 . . . . 0.0 112.655 175.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 52.5 38.21 24.98 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.387 1.875 . . . . 0.0 114.502 175.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.4 mt -85.94 114.62 22.99 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.436 1.494 . . . . 0.0 110.498 -178.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 C--O 1.254 1.338 0 C-N-CA 127.393 2.277 . . . . 0.0 112.781 177.142 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 N-CA-C 111.621 -0.592 . . . . 0.0 111.621 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -75.39 165.47 25.1 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.209 1.004 . . . . 0.0 112.611 177.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -62.3 145.59 53.34 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.155 1.382 . . . . 0.0 113.048 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.19 -15.9 76.86 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.111 0.862 . . . . 0.0 115.118 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.0 m -134.97 153.26 52.14 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.319 1.848 . . . . 0.0 111.364 177.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.5 m -67.31 147.97 52.28 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.335 1.054 . . . . 0.0 113.061 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.1 178.28 46.69 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.054 1.312 . . . . 0.0 112.892 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.7 mm -93.76 121.3 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.277 1.031 . . . . 0.0 110.107 178.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.8 mp -104.23 146.39 28.85 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.299 1.44 . . . . 0.0 112.051 177.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.1 mt -90.08 153.42 20.56 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.649 1.98 . . . . 0.0 109.258 169.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -124.54 148.8 47.56 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.128 0.971 . . . . 0.0 113.534 -176.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.3 t -66.48 132.01 94.22 Favored Pre-proline 0 CA--C 1.554 1.123 0 C-N-CA 124.775 1.23 . . . . 0.0 110.927 170.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -86.18 -13.14 5.51 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 123.896 3.064 . . . . 0.0 113.953 -176.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.6 m -71.78 141.28 49.72 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.793 0.837 . . . . 0.0 112.439 -169.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -60.63 134.2 56.84 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.622 0.769 . . . . 0.0 112.336 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.15 -4.72 53.64 Favored Glycine 0 CA--C 1.541 1.684 0 C-N-CA 124.675 1.131 . . . . 0.0 115.484 -175.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.8 t -99.36 147.81 24.84 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.816 1.646 . . . . 0.0 111.096 174.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -142.5 17.98 2.03 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.783 1.233 . . . . 0.0 113.086 -178.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -60.35 138.91 57.89 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.828 1.251 . . . . 0.0 112.09 176.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.9 p -138.57 151.63 47.47 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.604 1.161 . . . . 0.0 113.252 177.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -158.93 147.39 13.98 Favored Pre-proline 0 N--CA 1.476 0.857 0 C-N-CA 125.094 1.358 . . . . 0.0 111.095 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -74.67 -7.35 19.32 Favored 'Trans proline' 0 CA--C 1.545 1.052 0 C-N-CA 122.661 2.241 . . . . 0.0 113.811 174.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -110.65 130.12 55.65 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 119.567 1.076 . . . . 0.0 113.835 -174.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -56.79 -43.86 81.31 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.361 1.465 . . . . 0.0 113.231 176.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -81.49 -30.83 33.16 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.537 0.735 . . . . 0.0 111.638 -174.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.66 -37.45 87.4 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 118.6 0.636 . . . . 0.0 110.708 167.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.0 tp -66.42 -46.04 77.88 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-O 118.443 -0.789 . . . . 0.0 111.935 173.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -56.99 -42.44 80.27 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 119.837 1.199 . . . . 0.0 112.45 175.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.61 -24.0 66.4 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 173.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -88.57 -32.88 17.91 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.306 1.042 . . . . 0.0 113.082 170.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.7 mt -57.05 -35.17 69.01 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 121.447 1.93 . . . . 0.0 111.064 172.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -57.87 -21.45 43.02 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.163 1.385 . . . . 0.0 114.697 173.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 m -70.89 -21.97 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 120.34 1.427 . . . . 0.0 112.518 173.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -104.05 -37.98 7.13 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.861 1.664 . . . . 0.0 113.065 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.0 p -83.79 -10.14 58.29 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.557 1.318 . . . . 0.0 114.557 -175.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.33 80.24 2.41 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.598 1.159 . . . . 0.0 111.597 174.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.4 tp -143.96 131.08 20.63 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.299 1.839 . . . . 0.0 109.955 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 . . . . . 0 C--O 1.254 1.297 0 C-N-CA 125.819 1.648 . . . . 0.0 114.255 179.869 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -63.18 -19.66 64.7 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 -171.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -78.22 -8.6 58.52 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.904 1.282 . . . . 0.0 114.045 175.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.63 -171.47 36.66 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 125.003 1.287 . . . . 0.0 114.811 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.7 t -62.86 146.27 53.15 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.864 0.865 . . . . 0.0 112.146 177.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 m 55.8 22.62 5.68 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.717 1.607 . . . . 0.0 114.855 -170.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.04 -27.7 73.53 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.372 0.987 . . . . 0.0 113.941 176.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.3 mm -88.27 125.31 41.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 124.709 1.204 . . . . 0.0 108.624 169.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.6 mt -80.38 152.67 28.76 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -171.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.5 mt -80.57 152.47 28.59 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.109 1.363 . . . . 0.0 108.094 166.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -125.85 151.15 47.23 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.8 t -64.11 130.94 94.82 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 124.765 1.226 . . . . 0.0 111.407 172.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -82.8 -7.41 11.4 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 124.13 3.22 . . . . 0.0 113.409 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.4 m -74.06 140.58 45.45 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.836 0.854 . . . . 0.0 111.852 -171.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -64.87 139.88 58.81 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.285 -0.884 . . . . 0.0 112.298 176.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.15 -5.61 25.75 Favored Glycine 0 CA--C 1.544 1.866 0 C-N-CA 124.581 1.086 . . . . 0.0 115.592 -174.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.7 t -95.36 152.9 17.98 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.917 1.687 . . . . 0.0 111.378 176.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -141.68 16.15 2.16 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.103 1.361 . . . . 0.0 112.801 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -63.15 144.73 56.66 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.605 1.162 . . . . 0.0 112.672 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.7 p -143.79 149.38 36.97 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.109 1.364 . . . . 0.0 113.128 178.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.6 t -159.24 148.04 14.14 Favored Pre-proline 0 N--CA 1.478 0.962 0 C-N-CA 125.293 1.437 . . . . 0.0 111.357 -176.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -78.08 -6.64 15.92 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.296 1.997 . . . . 0.0 113.759 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -115.45 131.5 56.91 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.418 1.087 . . . . 0.0 113.593 -171.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -69.45 -24.59 63.83 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -86.53 -35.26 19.64 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.316 0.962 . . . . 0.0 111.325 176.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -61.78 -35.75 79.07 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 118.836 0.744 . . . . 0.0 111.343 169.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 55.3 tp -66.2 -48.69 69.82 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.334 0.654 . . . . 0.0 111.914 173.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -57.16 -41.24 78.84 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 118.881 0.764 . . . . 0.0 112.741 176.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.61 -28.51 69.67 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.219 1.008 . . . . 0.0 113.358 172.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -79.07 -31.15 44.32 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.208 -0.933 . . . . 0.0 112.859 170.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.8 mt -56.88 -27.53 60.63 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.935 1.698 . . . . 0.0 112.022 173.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -62.97 -30.09 71.31 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.727 1.211 . . . . 0.0 113.404 175.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.8 m -62.8 -26.61 41.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 119.907 1.231 . . . . 0.0 112.389 -175.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -84.66 4.98 29.94 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.625 1.57 . . . . 0.0 113.751 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.3 t -138.15 -35.92 0.61 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.894 1.277 . . . . 0.0 113.337 174.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.01 -16.62 60.61 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -178.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 75.1 mt -98.68 4.29 47.87 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.142 1.377 . . . . 0.0 113.67 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.254 1.302 0 C-N-CA 125.278 1.431 . . . . 0.0 113.829 178.539 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.587 0 N-CA-C 111.416 -0.674 . . . . 0.0 111.416 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -62.63 -20.91 65.25 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -171.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.4 m -77.29 -9.75 59.01 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.878 1.271 . . . . 0.0 114.06 176.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.36 160.04 53.97 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.586 1.089 . . . . 0.0 114.477 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.8 m -69.57 157.75 36.6 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.888 1.275 . . . . 0.0 113.202 178.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 t -140.51 156.53 46.3 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.178 1.391 . . . . 0.0 111.866 177.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.02 -163.75 37.41 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 125.302 1.429 . . . . 0.0 112.839 -176.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 32.8 pt -84.12 57.18 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-O 123.139 1.447 . . . . 0.0 113.028 -179.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.47 142.2 42.97 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.476 1.511 . . . . 0.0 112.097 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.9 mt -106.78 153.07 23.0 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.157 2.183 . . . . 0.0 108.497 168.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -127.33 150.82 49.42 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.367 1.067 . . . . 0.0 113.653 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.6 t -64.25 131.87 95.15 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 125.458 1.503 . . . . 0.0 111.42 173.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -83.05 -7.08 11.22 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 124.063 3.175 . . . . 0.0 113.568 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.2 m -74.66 140.65 44.38 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.695 0.798 . . . . 0.0 112.237 -170.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -61.42 133.89 56.28 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.462 -0.774 . . . . 0.0 112.165 177.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.13 -3.43 52.23 Favored Glycine 0 CA--C 1.542 1.721 0 C-N-CA 124.646 1.117 . . . . 0.0 115.488 -176.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.7 t -98.68 151.72 20.42 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.863 1.665 . . . . 0.0 111.089 176.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -141.47 10.73 2.08 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.929 1.292 . . . . 0.0 113.315 -178.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -56.33 141.73 40.63 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.053 1.341 . . . . 0.0 112.298 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.8 p -139.88 151.61 45.78 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 176.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 t -159.44 148.46 14.23 Favored Pre-proline 0 N--CA 1.475 0.819 0 C-N-CA 125.692 1.597 . . . . 0.0 110.795 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -75.99 -11.78 19.69 Favored 'Trans proline' 0 CA--C 1.546 1.08 0 C-N-CA 122.435 2.09 . . . . 0.0 113.117 172.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -102.35 120.19 40.08 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.893 1.277 . . . . 0.0 112.611 -174.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -62.04 -33.76 74.97 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 121.285 -0.884 . . . . 0.0 113.348 177.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -69.62 -41.7 75.31 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.688 0.795 . . . . 0.0 111.782 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -63.12 -38.5 91.44 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.091 1.357 . . . . 0.0 111.718 171.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.3 tp -65.27 -46.47 80.36 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 118.952 -0.547 . . . . 0.0 111.975 174.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -57.61 -42.4 83.2 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.233 0.924 . . . . 0.0 111.93 174.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.48 -26.98 68.17 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 173.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -78.21 -31.41 49.39 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 120.949 -1.094 . . . . 0.0 112.664 170.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.2 mt -56.32 -28.18 58.06 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 120.948 1.704 . . . . 0.0 111.968 173.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -63.07 -27.69 69.57 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.571 1.548 . . . . 0.0 113.754 174.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.3 m -65.3 -22.78 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 CA-C-N 119.956 1.253 . . . . 0.0 112.357 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -90.37 -0.5 57.67 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.177 1.391 . . . . 0.0 113.565 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.8 p -129.72 -34.4 1.76 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.972 1.309 . . . . 0.0 113.963 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.62 -17.28 19.59 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 -175.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.0 tp -110.5 54.16 0.68 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.474 1.509 . . . . 0.0 111.08 -178.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.5 t70 . . . . . 0 C--O 1.251 1.181 0 C-N-CA 126.552 1.941 . . . . 0.0 112.72 -178.28 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.58 0 N-CA-C 111.763 -0.535 . . . . 0.0 111.763 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.8 p -76.99 158.65 30.49 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.767 1.227 . . . . 0.0 113.298 178.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.7 m -71.41 153.39 42.32 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.832 1.253 . . . . 0.0 113.42 -177.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.57 -1.47 58.13 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 124.802 1.192 . . . . 0.0 115.453 177.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.7 p -62.35 -13.96 34.68 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.626 1.57 . . . . 0.0 114.805 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.6 m -64.81 -23.28 67.19 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.453 1.101 . . . . 0.0 113.595 170.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.43 138.5 2.55 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 124.566 1.079 . . . . 0.0 113.835 173.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.2 pt -137.52 155.43 31.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 126.358 1.863 . . . . 0.0 110.926 175.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.89 136.14 46.81 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.516 0.727 . . . . 0.0 110.777 174.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.0 mt -113.33 129.77 56.44 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.973 1.709 . . . . 0.0 109.509 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt -95.3 146.15 24.58 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.019 1.327 . . . . 0.0 113.501 -174.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.2 t -65.61 134.13 95.34 Favored Pre-proline 0 CA--C 1.554 1.104 0 C-N-CA 125.452 1.501 . . . . 0.0 111.292 169.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -67.62 -23.58 42.67 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 123.412 2.742 . . . . 0.0 114.676 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.9 m -70.12 132.53 45.97 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.937 0.895 . . . . 0.0 112.264 -171.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -65.65 132.94 50.03 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.669 0.788 . . . . 0.0 112.066 178.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.12 -0.48 58.82 Favored Glycine 0 CA--C 1.54 1.651 0 N-CA-C 115.749 1.06 . . . . 0.0 115.749 -178.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.5 t -79.03 -48.63 14.07 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.885 1.342 . . . . 0.0 112.357 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . 0.28 2.0 p30 51.4 9.06 0.06 Allowed 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 129.711 3.205 . . . . 0.0 117.427 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -56.81 142.14 41.91 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.544 1.537 . . . . 0.0 112.604 177.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 p -143.94 154.39 43.26 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 169.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 t -151.73 149.24 23.43 Favored Pre-proline 0 N--CA 1.472 0.656 0 C-N-CA 126.221 1.809 . . . . 0.0 110.338 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -76.38 -3.61 14.03 Favored 'Trans proline' 0 CA--C 1.544 0.975 0 C-N-CA 122.832 2.355 . . . . 0.0 114.238 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -116.09 130.58 56.87 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.498 1.119 . . . . 0.0 112.942 -175.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -69.17 -23.86 63.99 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 -178.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -87.05 -34.05 19.32 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.129 0.971 . . . . 0.0 111.477 176.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -62.83 -36.06 81.98 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 118.861 0.755 . . . . 0.0 111.599 169.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.1 tp -67.02 -45.29 77.96 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.29 0.496 . . . . 0.0 111.676 173.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -59.07 -42.16 89.72 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.138 0.881 . . . . 0.0 112.561 175.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.65 -29.19 69.91 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.041 0.936 . . . . 0.0 113.093 171.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -77.63 -34.76 53.19 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.657 0.783 . . . . 0.0 112.88 170.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 68.7 mt -56.7 -33.35 66.37 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.745 1.611 . . . . 0.0 112.185 176.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -60.25 -23.24 63.94 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.661 1.184 . . . . 0.0 113.874 174.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.08 -23.86 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.053 0.941 . . . . 0.0 112.305 176.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -91.53 -20.72 21.4 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.823 1.249 . . . . 0.0 113.385 178.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.7 p -92.92 -28.7 16.3 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.266 1.026 . . . . 0.0 112.994 175.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.91 156.41 39.3 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.452 1.101 . . . . 0.0 112.673 172.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.1 mt -140.64 146.06 37.42 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.684 1.994 . . . . 0.0 109.744 177.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.251 1.139 0 C-N-CA 126.663 1.985 . . . . 0.0 112.688 178.888 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.577 0 N-CA-C 112.142 -0.383 . . . . 0.0 112.142 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.5 m -135.25 155.25 50.96 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.428 1.491 . . . . 0.0 112.15 -176.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t -72.5 154.21 40.95 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.932 0.893 . . . . 0.0 112.378 176.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.24 175.11 47.27 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 125.063 1.316 . . . . 0.0 113.45 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 m -73.38 142.53 46.98 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.515 1.126 . . . . 0.0 112.847 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -140.8 152.15 44.96 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.649 1.58 . . . . 0.0 111.842 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.02 17.37 73.61 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.124 0.869 . . . . 0.0 115.099 178.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.8 mm -72.7 139.3 19.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.264 1.425 . . . . 0.0 110.592 -176.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.57 130.36 42.92 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.958 1.303 . . . . 0.0 111.779 -178.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.2 mt -89.85 150.08 22.38 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.141 1.776 . . . . 0.0 108.395 168.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -126.72 147.38 49.97 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.152 0.981 . . . . 0.0 112.664 -172.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.9 t -67.98 132.17 92.18 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 124.331 1.052 . . . . 0.0 111.178 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -80.19 -8.84 14.09 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.99 3.127 . . . . 0.0 113.888 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.1 m -74.16 129.73 38.4 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.793 0.837 . . . . 0.0 111.101 -177.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.83 -31.2 71.66 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -172.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.56 3.43 82.53 Favored Glycine 0 CA--C 1.539 1.565 0 C-N-CA 125.037 1.303 . . . . 0.0 115.28 174.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.5 t -108.99 160.07 16.31 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.192 1.797 . . . . 0.0 112.319 -174.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -132.45 4.35 3.97 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.264 1.826 . . . . 0.0 113.011 -177.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -72.63 141.16 48.32 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.581 1.152 . . . . 0.0 113.801 -172.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.1 p -145.06 153.7 41.72 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.437 1.495 . . . . 0.0 112.542 171.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -160.18 148.41 13.25 Favored Pre-proline 0 N--CA 1.477 0.908 0 C-N-CA 125.209 1.404 . . . . 0.0 111.408 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -75.81 -7.89 18.74 Favored 'Trans proline' 0 CA--C 1.547 1.135 0 C-N-CA 122.412 2.075 . . . . 0.0 113.3 173.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -108.21 121.12 44.21 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.608 1.163 . . . . 0.0 113.108 -172.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -64.28 -24.54 67.7 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 176.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -84.93 -26.49 27.2 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.468 -0.77 . . . . 0.0 112.472 177.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -73.87 -40.32 63.32 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.645 -0.659 . . . . 0.0 110.441 169.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.6 tp -64.66 -49.24 71.77 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 118.573 -0.727 . . . . 0.0 112.379 176.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -60.88 -33.06 72.52 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.775 1.17 . . . . 0.0 112.508 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.84 -28.48 61.62 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 175.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -76.84 -31.63 57.01 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.447 1.099 . . . . 0.0 112.841 171.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.0 mt -55.22 -31.46 61.49 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 121.064 1.756 . . . . 0.0 112.159 175.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -66.08 -24.72 66.76 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.398 1.479 . . . . 0.0 113.89 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.3 m -63.53 -26.84 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 120.012 1.278 . . . . 0.0 112.262 -178.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -82.52 1.07 39.63 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.66 1.584 . . . . 0.0 113.872 -177.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.3 p -77.95 -10.14 59.44 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.044 0.937 . . . . 0.0 112.845 169.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.16 -175.72 4.43 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.705 2.002 . . . . 0.0 111.586 -178.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.9 mt 62.72 10.13 4.01 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 126.716 2.006 . . . . 0.0 116.134 174.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.8 t70 . . . . . 0 C--O 1.252 1.195 0 C-N-CA 126.523 1.929 . . . . 0.0 112.419 177.379 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_