data_2ltp_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 2ltp _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 17.4 m95 . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.2 m -67.44 146.58 53.86 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.295 0.638 . . . . 0.0 109.693 175.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.452 ' HA ' ' HB2' ' A' ' 6' ' ' MET . 46.4 mt-10 -54.96 -20.2 8.49 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -175.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -67.25 -54.06 24.35 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.619 0.768 . . . . 0.0 110.766 175.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -73.73 -27.49 61.21 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.315 0.646 . . . . 0.0 110.944 178.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.452 ' HB2' ' HA ' ' A' ' 3' ' ' GLU . 0.6 OUTLIER -64.87 -33.77 76.81 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.268 0.627 . . . . 0.0 109.968 170.072 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.4 -30.33 62.64 Favored Glycine 0 C--N 1.352 1.424 0 O-C-N 123.631 0.582 . . . . 0.0 112.364 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.5 m -76.76 -30.44 56.55 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.555 0.742 . . . . 0.0 109.98 174.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.05 -30.84 50.0 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.675 0.79 . . . . 0.0 110.233 175.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HZ3' HD13 ' A' ' 14' ' ' LEU . 5.5 tmtm? -67.19 -45.96 75.36 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 173.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -62.32 -42.62 99.53 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.112 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.9 -55.74 22.72 Favored Glycine 0 C--N 1.343 0.963 0 O-C-N 123.535 0.522 . . . . 0.0 112.6 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.5 mt -64.86 -24.15 67.45 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.861 0.864 . . . . 0.0 111.86 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.41 HD13 ' HZ3' ' A' ' 10' ' ' LYS . 3.9 tt -73.89 -59.15 2.85 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 172.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -69.44 -60.88 2.04 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.702 0.801 . . . . 0.0 112.2 -170.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -80.11 -12.82 59.63 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.596 0.758 . . . . 0.0 111.406 -176.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.36 -149.15 33.45 Favored Glycine 0 C--N 1.343 0.964 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 -175.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -94.64 22.17 6.56 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.157 0.583 . . . . 0.0 111.304 -176.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.467 ' O ' HG12 ' A' ' 23' ' ' ILE . 28.3 t-20 -72.9 95.38 1.95 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 175.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -57.78 -27.86 63.45 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.956 0.902 . . . . 0.0 112.229 -171.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.477 ' HA ' HG23 ' A' ' 32' ' ' VAL . 19.2 m -64.53 -49.17 72.3 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.594 0.757 . . . . 0.0 111.03 177.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.06 -41.86 85.72 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.944 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.467 HG12 ' O ' ' A' ' 19' ' ' ASN . 18.7 mm -67.72 -49.22 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.646 -177.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 31' ' ' THR . . . -68.67 -19.42 64.39 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.526 0.731 . . . . 0.0 112.53 -178.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -83.22 -31.93 26.77 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 122.91 0.484 . . . . 0.0 110.724 171.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.0 ttt -77.95 -62.35 1.7 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.678 0.791 . . . . 0.0 111.426 -177.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 23' ' ' ILE . 25.6 m -87.67 -40.27 13.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 C-N-CA 123.887 0.875 . . . . 0.0 112.1 -177.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.33 -39.26 12.86 Favored Glycine 0 C--N 1.352 1.462 0 CA-C-N 116.336 -0.393 . . . . 0.0 112.585 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.3 t 62.83 27.0 15.86 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 125.62 1.568 . . . . 0.0 112.778 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.594 ' HB2' ' HZ1' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -149.9 -74.28 0.17 Allowed 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -177.183 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 97.6 m -129.31 137.94 51.31 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.486 0.714 . . . . 0.0 111.57 -165.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.477 HG23 ' HA ' ' A' ' 21' ' ' SER . 51.6 t -60.78 -36.07 68.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 C-N-CA 124.332 1.053 . . . . 0.0 111.404 -177.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 63.0 m -60.61 -23.93 65.1 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.992 0.917 . . . . 0.0 112.53 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -61.12 -53.1 61.25 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 118.189 0.449 . . . . 0.0 110.611 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.8 t -72.16 -27.74 62.78 Favored 'General case' 0 N--CA 1.484 1.247 0 O-C-N 123.659 0.6 . . . . 0.0 111.267 -177.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.75 -51.01 54.16 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -72.99 -34.98 66.77 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.596 0.758 . . . . 0.0 110.404 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -51.16 -37.78 48.33 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 124.969 1.308 . . . . 0.0 111.04 170.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -72.2 -17.19 61.94 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.809 -175.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 . . . . . 0 N--CA 1.482 1.168 0 C-N-CA 123.52 0.728 . . . . 0.0 111.329 176.258 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tm? . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 120.447 0.165 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.42 -43.33 96.86 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.316 0.646 . . . . 0.0 110.469 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -69.88 -37.17 75.96 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.825 -1.079 . . . . 0.0 110.947 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 86.0 mt -57.14 -43.88 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 C-N-CA 123.227 0.611 . . . . 0.0 110.563 177.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.41 -36.66 60.78 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.016 -178.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -68.93 -41.81 77.59 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 123.311 0.382 . . . . 0.0 110.249 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.408 ' HB3' ' HE3' ' A' ' 58' ' ' LYS . 84.3 mm-40 -65.29 -42.95 92.59 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.315 175.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -55.47 -39.23 70.12 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.093 0.557 . . . . 0.0 110.846 174.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -64.38 -61.96 1.9 Allowed 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.375 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 pp -71.44 -34.89 70.69 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -167.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.456 ' HA ' ' HE2' ' A' ' 61' ' ' LYS . 95.1 mttt -62.83 -51.75 65.83 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 123.143 0.577 . . . . 0.0 110.939 -177.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 48.8 tpp -69.46 -41.6 76.01 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.527 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -65.07 -44.76 87.87 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.785 0.834 . . . . 0.0 111.795 -172.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.456 ' HE2' ' HA ' ' A' ' 58' ' ' LYS . 63.3 pttt -65.51 -45.08 84.94 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 123.689 0.618 . . . . 0.0 111.014 -174.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -77.04 -27.57 54.51 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.991 0.516 . . . . 0.0 110.457 -176.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -66.32 -37.57 85.68 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.846 0.858 . . . . 0.0 110.04 177.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.474 0.748 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.289 177.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 76.0 m95 . . . . . 0 N--CA 1.472 0.656 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.6 m -74.8 155.43 37.6 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.197 0.999 . . . . 0.0 109.891 173.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -53.9 -22.81 10.83 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -178.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -72.86 -55.76 6.19 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 122.708 0.403 . . . . 0.0 110.33 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -71.78 -30.08 65.17 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.197 0.599 . . . . 0.0 110.961 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 28.3 ttm -71.98 -39.97 68.93 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.57 0.748 . . . . 0.0 110.037 177.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.08 -31.24 69.4 Favored Glycine 0 C--N 1.346 1.127 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.738 176.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.0 m -75.55 -32.21 60.34 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.759 0.824 . . . . 0.0 110.268 175.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.25 -50.68 59.63 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.552 0.741 . . . . 0.0 109.369 175.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -56.53 -45.03 81.34 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.122 1.369 . . . . 0.0 110.422 176.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -62.4 -39.75 94.28 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.87 0.868 . . . . 0.0 110.191 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.0 -36.83 86.89 Favored Glycine 0 C--N 1.344 0.991 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.869 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.472 HD12 HD12 ' A' ' 48' ' ' LEU . 18.6 mt -72.36 -34.47 68.02 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.916 0.886 . . . . 0.0 110.169 177.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.1 tp -74.86 -23.45 58.41 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.344 1.058 . . . . 0.0 110.826 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -106.94 -63.78 1.25 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.07 0.548 . . . . 0.0 111.305 -174.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -74.59 -48.75 24.78 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.702 0.801 . . . . 0.0 110.323 -176.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.4 -161.89 21.46 Favored Glycine 0 C--N 1.343 0.945 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.321 -177.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -84.59 9.15 14.44 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.753 1.221 . . . . 0.0 111.525 -172.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.44 ' O ' HG12 ' A' ' 23' ' ' ILE . 86.1 m-20 -66.74 94.43 0.3 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.929 0.892 . . . . 0.0 109.519 177.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.493 ' HE3' ' SG ' ' A' ' 35' ' ' CYS . 50.5 m95 -61.17 -21.75 64.09 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.615 0.766 . . . . 0.0 111.876 -174.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.5 t -71.31 -43.3 67.34 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.926 0.89 . . . . 0.0 110.281 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.23 -41.7 94.14 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.39 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.594 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 18.1 mm -71.82 -40.59 69.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.05 -177.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.29 -38.47 91.29 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.383 0.673 . . . . 0.0 111.352 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.455 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 63.9 ttt180 -77.4 -30.9 53.78 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.622 176.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.0 ttt -66.9 -58.1 5.66 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.95 0.5 . . . . 0.0 111.003 -177.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 23' ' ' ILE . 35.0 m -87.5 -48.71 15.15 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -177.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.25 -37.92 11.78 Favored Glycine 0 C--N 1.343 0.941 0 O-C-N 123.441 0.463 . . . . 0.0 113.355 -176.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.455 ' HA ' ' HA ' ' A' ' 25' ' ' ARG . 10.3 t 60.4 30.45 19.81 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.052 1.341 . . . . 0.0 109.861 -164.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.469 ' HG2' ' H ' ' A' ' 31' ' ' THR . 38.2 ttmt -130.69 176.51 8.13 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.315 1.046 . . . . 0.0 109.492 -172.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.469 ' H ' ' HG2' ' A' ' 30' ' ' LYS . 18.2 m -49.07 151.31 1.34 Allowed 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 125.364 1.466 . . . . 0.0 113.297 178.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.1 t -51.0 -29.49 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 C-N-CA 124.909 1.284 . . . . 0.0 112.222 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.7 m -47.64 -40.68 20.3 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.21 1.404 . . . . 0.0 112.859 178.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -65.39 -44.33 87.87 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 122.571 0.348 . . . . 0.0 111.8 -175.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.594 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 53.8 t -79.13 -36.0 41.23 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.757 0.423 . . . . 0.0 111.508 -177.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -60.45 -51.7 68.35 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.091 0.556 . . . . 0.0 109.607 174.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -40.41 89.36 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.516 178.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -47.0 -38.33 10.61 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 124.258 1.023 . . . . 0.0 111.977 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -55.96 -47.01 78.41 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 124.773 1.296 . . . . 0.0 110.813 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 46.2 p90 . . . . . 0 N--CA 1.481 1.109 0 C-N-CA 123.673 0.789 . . . . 0.0 112.519 -177.602 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.472 HD12 HD12 ' A' ' 13' ' ' LEU . 3.0 tm? . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.416 0.15 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -55.69 -34.1 64.74 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.358 0.663 . . . . 0.0 111.451 175.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -60.82 -33.7 73.42 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.383 0.673 . . . . 0.0 112.197 -175.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.1 mp -64.28 -39.31 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.41 -28.38 41.8 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.987 0.915 . . . . 0.0 111.568 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -71.11 -43.97 66.6 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.947 0.899 . . . . 0.0 109.469 -176.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -69.65 -41.24 75.81 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.898 0.879 . . . . 0.0 109.903 175.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -57.74 -31.83 66.84 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.622 0.769 . . . . 0.0 111.085 175.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -78.94 -61.84 1.89 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.637 0.775 . . . . 0.0 111.24 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 pp -66.92 -35.95 81.14 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.16 0.584 . . . . 0.0 112.276 -167.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -67.68 -39.72 84.47 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.187 0.595 . . . . 0.0 111.004 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 46.5 tpp -68.57 -41.16 80.1 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.974 -176.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -74.62 -38.42 62.57 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.486 0.715 . . . . 0.0 112.153 -175.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -70.53 -40.69 73.29 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 111.399 0.148 . . . . 0.0 111.399 -175.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -71.33 -32.11 68.19 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.502 0.321 . . . . 0.0 110.152 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -59.4 -48.36 81.92 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.211 1.004 . . . . 0.0 110.342 -177.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 60.6 t30 . . . . . 0 CA--C 1.543 0.689 0 O-C-N 123.687 0.617 . . . . 0.0 110.391 176.854 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 49.1 m95 . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.587 0.232 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.4 m -73.31 150.15 42.11 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.734 0.814 . . . . 0.0 109.894 174.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -57.4 -21.87 39.15 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.561 0.745 . . . . 0.0 112.52 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -70.07 -53.29 18.1 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.722 0.809 . . . . 0.0 111.054 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -69.79 -28.85 66.08 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.056 0.542 . . . . 0.0 110.819 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 89.3 mtp -73.51 -22.9 59.99 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.221 0.608 . . . . 0.0 111.139 174.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.6 -37.12 62.06 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 168.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.5 m -70.13 -32.58 70.65 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.61 0.764 . . . . 0.0 110.621 173.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.427 ' HA ' HG11 ' A' ' 27' ' ' VAL . . . -71.21 -45.54 63.15 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.409 0.684 . . . . 0.0 109.741 177.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.49 ' HZ1' HD13 ' A' ' 14' ' ' LEU . 4.8 tmtm? -55.91 -42.82 76.64 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.052 174.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.85 -44.61 80.58 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.182 0.993 . . . . 0.0 111.214 178.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.84 -44.45 91.99 Favored Glycine 0 C--N 1.342 0.888 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.489 -177.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.7 mt -71.73 -22.86 61.56 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.363 1.065 . . . . 0.0 110.54 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.49 HD13 ' HZ1' ' A' ' 10' ' ' LYS . 4.2 tt -75.7 -32.03 59.93 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.928 0.891 . . . . 0.0 110.822 171.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -97.14 -63.3 1.15 Allowed 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 120.869 0.366 . . . . 0.0 111.979 -174.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -78.35 -24.51 46.44 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.742 0.817 . . . . 0.0 111.061 -178.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.4 -162.31 31.9 Favored Glycine 0 C--N 1.344 0.991 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.879 -173.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 -80.55 22.67 0.56 Allowed 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 117.891 0.846 . . . . 0.0 112.094 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.441 ' O ' HG12 ' A' ' 23' ' ' ILE . 42.2 t30 -69.63 92.38 0.65 Allowed 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 175.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 35.8 m95 -60.61 -24.24 65.34 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.762 0.825 . . . . 0.0 112.318 -171.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.485 ' HA ' HG22 ' A' ' 32' ' ' VAL . 23.6 t -61.26 -53.98 49.94 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 123.545 0.528 . . . . 0.0 109.813 173.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.47 -41.34 89.16 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.264 0.626 . . . . 0.0 112.032 -176.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.441 HG12 ' O ' ' A' ' 19' ' ' ASN . 23.1 mm -74.68 -37.18 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.608 -173.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.45 -20.62 62.07 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 21' ' ' SER . 75.2 mtp180 -78.48 -37.51 43.19 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 169.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.2 ttt -76.84 -63.85 1.26 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.434 0.694 . . . . 0.0 111.949 -173.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.427 HG11 ' HA ' ' A' ' 9' ' ' ALA . 18.8 m -87.25 -39.44 13.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 123.258 0.623 . . . . 0.0 111.445 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.94 -41.31 33.22 Favored Glycine 0 C--N 1.348 1.248 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.67 -174.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.0 t 60.09 26.6 15.97 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.426 1.09 . . . . 0.0 111.415 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.492 ' HD2' HE21 ' A' ' 34' ' ' GLN . 24.8 ttmm -143.38 -91.27 0.12 Allowed 'General case' 0 CA--C 1.555 1.164 0 O-C-N 122.192 -0.317 . . . . 0.0 111.486 -171.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 84.9 m -138.69 149.66 45.35 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.521 0.728 . . . . 0.0 110.35 -168.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.485 HG22 ' HA ' ' A' ' 21' ' ' SER . 53.7 t -52.08 -36.41 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 C-N-CA 124.622 1.169 . . . . 0.0 111.863 -177.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.6 t -61.46 -27.54 68.64 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.318 1.047 . . . . 0.0 112.654 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.492 HE21 ' HD2' ' A' ' 30' ' ' LYS . 5.9 tp-100 -62.14 -50.31 72.4 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.535 0.734 . . . . 0.0 111.379 -175.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.2 t -82.14 -26.42 33.52 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.367 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.05 -56.72 17.72 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 175.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -63.47 -29.63 70.88 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.176 0.991 . . . . 0.0 111.715 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -57.19 -39.02 74.52 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.453 0.701 . . . . 0.0 110.992 174.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -68.27 -17.95 64.41 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 121.074 0.464 . . . . 0.0 111.216 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 . . . . . 0 CA--C 1.548 0.876 0 C-N-CA 123.994 0.918 . . . . 0.0 110.567 177.568 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.452 ' HA ' HD11 ' A' ' 51' ' ' ILE . 2.4 tm? . . . . . 0 CA--C 1.547 0.837 0 CA-C-O 120.974 0.416 . . . . 0.0 111.485 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -59.17 -36.9 76.12 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 123.943 0.897 . . . . 0.0 111.575 175.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -71.67 -35.63 70.38 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.044 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.452 HD11 ' HA ' ' A' ' 48' ' ' LEU . 1.8 mp -59.52 -39.17 78.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 C-N-CA 123.046 0.539 . . . . 0.0 110.129 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.57 -34.33 69.87 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.47 0.708 . . . . 0.0 111.72 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.433 ' HG3' HD22 ' A' ' 57' ' ' LEU . 23.7 tp60 -62.77 -44.1 97.08 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.042 0.537 . . . . 0.0 110.213 174.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -67.29 -38.88 85.76 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.606 0.762 . . . . 0.0 110.648 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -57.09 -39.42 74.98 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.898 0.879 . . . . 0.0 110.918 176.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -75.63 -59.79 2.6 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.331 178.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.449 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 4.3 pp -64.68 -35.74 82.03 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.836 0.454 . . . . 0.0 111.893 -164.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -69.59 -47.13 64.57 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.179 0.592 . . . . 0.0 111.304 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 39.7 tpp -62.24 -48.11 81.43 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.961 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -71.06 -35.66 72.0 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.242 -176.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 57' ' ' LEU . 26.2 ttpp -54.91 -57.8 10.19 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.511 1.124 . . . . 0.0 111.311 -179.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -73.03 -32.96 65.43 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.725 -176.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -71.04 -38.44 72.55 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.84 0.456 . . . . 0.0 111.18 -176.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 . . . . . 0 N--CA 1.479 0.994 0 C-N-CA 123.35 0.66 . . . . 0.0 109.866 177.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 92.2 m95 . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.438 HG21 ' H ' ' A' ' 4' ' ' GLU . 99.2 m -66.41 146.09 54.95 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.574 1.15 . . . . 0.0 109.534 170.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.73 -22.97 65.83 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 118.257 0.48 . . . . 0.0 112.095 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.438 ' H ' HG21 ' A' ' 2' ' ' THR . 35.4 mt-10 -66.93 -55.2 15.61 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.019 0.928 . . . . 0.0 111.284 175.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -71.13 -29.39 65.19 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.404 0.682 . . . . 0.0 111.023 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 32.5 ttm -64.22 -37.7 88.41 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.118 1.367 . . . . 0.0 110.14 173.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.96 -32.51 60.75 Favored Glycine 0 C--N 1.346 1.104 0 O-C-N 124.021 0.826 . . . . 0.0 112.635 174.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.6 m -70.38 -33.02 70.91 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.253 0.621 . . . . 0.0 110.199 175.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.71 -35.84 57.59 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.512 0.725 . . . . 0.0 110.376 176.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.435 ' HG2' HD12 ' A' ' 51' ' ' ILE . 1.6 tmtp? -59.8 -49.06 79.17 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.659 173.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -69.19 -36.85 77.75 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.318 1.047 . . . . 0.0 110.668 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.68 -53.72 39.16 Favored Glycine 0 C--N 1.341 0.825 0 O-C-N 123.36 0.413 . . . . 0.0 112.119 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.558 ' HG ' HG23 ' A' ' 23' ' ' ILE . 24.0 mt -61.27 -40.07 92.74 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.89 0.876 . . . . 0.0 110.172 174.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.543 HD13 ' HB2' ' A' ' 55' ' ' HIS . 58.2 tp -61.14 -33.92 74.17 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 123.924 0.89 . . . . 0.0 111.536 177.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -83.89 -56.14 3.85 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 121.213 0.53 . . . . 0.0 111.353 -174.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -90.6 -28.5 18.39 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.726 0.81 . . . . 0.0 112.046 -169.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 111.24 -177.26 19.0 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 -169.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.465 ' NH2' ' HA ' ' A' ' 49' ' ' ASP . 93.6 mtt180 -82.05 56.8 3.27 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-N 117.673 0.737 . . . . 0.0 111.181 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -85.09 96.36 9.41 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.297 1.039 . . . . 0.0 108.692 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -55.36 -47.59 75.53 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.812 0.845 . . . . 0.0 111.993 -172.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.7 t -69.21 -39.54 78.53 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.16 0.584 . . . . 0.0 111.553 -177.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.29 -41.57 56.75 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.913 -171.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.558 HG23 ' HG ' ' A' ' 13' ' ' LEU . 38.2 mm -80.23 -31.57 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 122.964 0.506 . . . . 0.0 110.578 -176.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 31' ' ' THR . . . -71.9 -21.72 61.59 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.033 173.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -81.9 -28.45 32.88 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.687 0.795 . . . . 0.0 110.79 169.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.8 ttt -76.72 -65.4 0.94 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.617 0.367 . . . . 0.0 111.326 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.4 m -88.86 -41.5 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 123.307 0.643 . . . . 0.0 111.639 -174.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.72 -35.14 55.46 Favored Glycine 0 C--N 1.346 1.138 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.816 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.3 t 68.37 3.3 3.68 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.872 1.269 . . . . 0.0 112.948 173.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -122.4 -79.64 0.61 Allowed 'General case' 0 N--CA 1.481 1.115 0 O-C-N 121.782 -0.573 . . . . 0.0 111.603 -171.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.453 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 17.4 m -138.04 165.8 25.69 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.971 0.508 . . . . 0.0 110.242 -172.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.6 t -51.23 -31.72 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 C-N-CA 125.222 1.409 . . . . 0.0 112.673 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.6 p -54.38 -33.93 60.18 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.043 1.337 . . . . 0.0 113.766 -175.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.4 mp0 -59.66 -50.53 73.52 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -175.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.401 ' SG ' HD21 ' A' ' 13' ' ' LEU . 51.5 t -72.58 -28.95 63.11 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.541 0.336 . . . . 0.0 110.672 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -65.0 -53.91 38.75 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.442 0.697 . . . . 0.0 111.483 177.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -71.19 -24.9 62.31 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 122.456 0.302 . . . . 0.0 111.346 -177.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -63.8 -38.4 90.98 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-O 121.147 0.499 . . . . 0.0 110.625 173.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -80.09 -49.92 11.07 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.632 0.773 . . . . 0.0 111.959 -175.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 . . . . . 0 N--CA 1.486 1.364 0 C-N-CA 123.556 0.742 . . . . 0.0 112.055 -169.479 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.6 tm? . . . . . 0 CA--C 1.547 0.85 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.465 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 36.3 t70 -63.29 -47.91 80.31 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 123.31 0.381 . . . . 0.0 111.918 -175.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.526 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 12.6 pt-20 -68.89 -33.76 74.3 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 122.797 0.439 . . . . 0.0 111.049 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.435 HD12 ' HG2' ' A' ' 10' ' ' LYS . 86.1 mt -61.64 -45.56 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 124.024 0.93 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.435 HD11 ' O ' ' A' ' 13' ' ' LEU . 3.9 mm? -78.0 -25.27 47.92 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.855 179.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -65.31 -40.18 93.42 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 175.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.526 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 70.0 mm-40 -65.94 -52.07 52.98 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.166 175.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.543 ' HB2' HD13 ' A' ' 14' ' ' LEU . 86.4 t60 -53.41 -40.24 64.95 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 123.507 0.723 . . . . 0.0 111.435 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -60.6 -59.3 5.6 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.605 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 pp -67.11 -30.06 69.97 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 123.503 0.502 . . . . 0.0 111.323 -175.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.428 ' HE2' ' HB3' ' A' ' 54' ' ' GLN . 67.4 mttm -64.73 -58.87 5.08 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.513 0.725 . . . . 0.0 111.205 -178.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.0 tpp -64.71 -39.52 93.78 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 123.407 0.442 . . . . 0.0 111.297 -174.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -67.21 -37.33 83.44 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 119.38 -0.343 . . . . 0.0 111.66 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.459 ' HZ1' ' HB2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -76.59 -41.93 44.45 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 117.928 0.331 . . . . 0.0 111.194 -177.075 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.53 -34.37 72.21 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 123.14 0.275 . . . . 0.0 110.359 -177.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -53.69 41.9 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.396 0.678 . . . . 0.0 110.007 173.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 . . . . . 0 N--CA 1.489 1.482 0 C-N-CA 124.466 1.106 . . . . 0.0 111.072 -178.945 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 78.3 m95 . . . . . 0 N--CA 1.471 0.598 0 CA-C-O 121.253 0.549 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.6 m -78.17 160.7 27.85 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.19 0.996 . . . . 0.0 109.751 173.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.482 ' HA ' ' HB3' ' A' ' 6' ' ' MET . 37.5 mt-10 -54.25 -18.21 3.68 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.463 1.105 . . . . 0.0 113.869 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -66.77 -57.38 7.2 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.258 0.623 . . . . 0.0 111.353 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.6 pm0 -77.66 -30.37 52.03 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.176 0.59 . . . . 0.0 110.29 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.482 ' HB3' ' HA ' ' A' ' 3' ' ' GLU . 49.9 ttm -66.41 -34.75 78.65 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.921 0.888 . . . . 0.0 110.541 174.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.04 -35.71 53.14 Favored Glycine 0 C--N 1.349 1.282 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.989 175.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.0 m -72.13 -28.54 63.33 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.118 0.567 . . . . 0.0 110.176 174.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.01 -39.97 60.84 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.844 0.858 . . . . 0.0 109.897 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.59 -47.42 86.31 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.426 1.09 . . . . 0.0 109.803 174.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.43 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 58.0 tptt -61.33 -45.3 95.0 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 114.594 -1.184 . . . . 0.0 110.133 177.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -61.02 -48.29 86.99 Favored Glycine 0 C--N 1.349 1.251 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.617 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.402 HD23 ' HD2' ' A' ' 18' ' ' ARG . 29.5 mt -57.98 -38.16 75.55 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.201 1.0 . . . . 0.0 110.496 178.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.67 -57.27 12.65 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.218 0.607 . . . . 0.0 109.42 175.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 11' ' ' LYS . 37.4 mm-40 -63.32 -46.63 85.76 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.311 0.645 . . . . 0.0 111.942 -172.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -90.68 -12.84 35.54 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.9 0.88 . . . . 0.0 112.106 -172.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.71 57.72 4.06 Favored Glycine 0 CA--C 1.532 1.137 0 CA-C-O 120.083 -0.287 . . . . 0.0 112.899 173.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.432 ' HD3' ' HG ' ' A' ' 52' ' ' LEU . 4.9 tpt180 70.35 7.72 6.33 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 124.729 1.211 . . . . 0.0 112.555 171.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.509 ' O ' HG12 ' A' ' 23' ' ' ILE . 24.4 t-20 -75.4 94.76 3.12 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.172 0.589 . . . . 0.0 109.971 -175.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.495 ' HE3' ' SG ' ' A' ' 35' ' ' CYS . 66.1 m95 -53.38 -35.32 60.19 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.938 1.295 . . . . 0.0 113.039 -172.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.438 ' HA ' HG22 ' A' ' 32' ' ' VAL . 17.3 m -65.64 -43.79 88.38 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 124.052 0.845 . . . . 0.0 110.912 -178.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.48 -37.12 82.4 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.672 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.548 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 7.5 mm -74.06 -46.47 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 122.779 0.432 . . . . 0.0 110.301 -173.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.51 -26.76 68.86 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.321 0.648 . . . . 0.0 111.072 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -80.22 -36.48 34.71 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.8 0.84 . . . . 0.0 110.559 174.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.4 ttt -73.94 -60.67 2.15 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.662 0.785 . . . . 0.0 111.532 -174.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 23' ' ' ILE . 15.8 m -87.06 -38.38 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.441 0.696 . . . . 0.0 111.834 -175.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.08 -45.97 5.76 Favored Glycine 0 C--N 1.346 1.114 0 CA-C-N 116.381 -0.372 . . . . 0.0 113.4 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.3 t 60.96 29.74 19.2 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.282 1.033 . . . . 0.0 109.713 -163.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -125.25 -169.01 1.92 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.843 1.257 . . . . 0.0 110.372 -173.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.0 m -60.87 147.55 42.57 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.758 1.223 . . . . 0.0 111.731 178.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.438 HG22 ' HA ' ' A' ' 21' ' ' SER . 95.3 t -56.29 -33.04 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 C-N-CA 123.978 0.911 . . . . 0.0 111.76 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.7 t -58.21 -29.16 65.48 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.409 1.084 . . . . 0.0 112.068 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -59.02 -49.42 77.98 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.58 0.752 . . . . 0.0 111.581 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.548 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 50.0 t -67.97 -38.35 82.65 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.949 0.5 . . . . 0.0 111.244 -176.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -64.73 -56.56 12.93 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.803 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -60.39 -36.61 78.49 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 123.96 0.787 . . . . 0.0 110.928 -175.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.471 ' HZ ' ' HG3' ' A' ' 6' ' ' MET . 15.1 t80 -54.29 -44.92 72.36 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.684 0.793 . . . . 0.0 110.682 172.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -73.0 -17.67 61.43 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.075 0.55 . . . . 0.0 111.233 -176.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 . . . . . 0 N--CA 1.485 1.291 0 C-N-CA 123.116 0.567 . . . . 0.0 110.959 172.952 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.64 -37.97 74.23 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.268 0.627 . . . . 0.0 111.385 174.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 9.0 tp10 -72.71 -48.85 35.36 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.463 176.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.9 mt -55.67 -36.1 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 C-N-CA 124.578 1.151 . . . . 0.0 111.297 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.432 ' HG ' ' HD3' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -71.25 -44.4 65.37 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.442 -178.161 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -59.13 -43.79 91.99 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.294 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.512 ' HB3' ' HE3' ' A' ' 58' ' ' LYS . 86.8 mm-40 -61.3 -43.01 99.59 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.681 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -56.41 -41.72 76.79 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 123.548 0.53 . . . . 0.0 110.865 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -64.73 -61.76 1.99 Allowed 'General case' 0 C--N 1.348 0.524 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.259 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 pp -66.56 -31.15 71.68 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 123.909 0.756 . . . . 0.0 112.893 -168.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.512 ' HE3' ' HB3' ' A' ' 54' ' ' GLN . 95.1 mttt -63.96 -51.24 65.27 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.164 0.586 . . . . 0.0 110.672 177.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 53.3 ttm -67.62 -36.5 80.93 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 123.985 0.803 . . . . 0.0 110.611 178.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -63.75 -49.98 70.85 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.498 1.119 . . . . 0.0 112.061 -176.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -71.69 -38.53 70.57 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.972 0.509 . . . . 0.0 111.707 -175.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -35.12 63.92 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -177.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -70.36 -33.68 71.74 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.098 0.559 . . . . 0.0 110.342 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 . . . . . 0 CA--C 1.551 0.985 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.924 174.02 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 38.0 m95 . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.4 m -63.12 162.13 12.25 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 123.691 0.796 . . . . 0.0 110.483 176.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -51.53 -29.43 16.78 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.607 1.163 . . . . 0.0 113.162 -174.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.2 -55.46 24.83 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.334 0.654 . . . . 0.0 110.824 -177.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.5 pm0 -78.61 -27.21 45.48 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.445 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 44.8 tpp -53.25 -52.87 57.58 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.751 0.82 . . . . 0.0 111.409 177.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.59 -34.01 88.75 Favored Glycine 0 C--N 1.344 1.001 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.905 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.554 HG22 HG13 ' A' ' 27' ' ' VAL . 28.4 m -70.36 -38.97 74.88 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.007 0.923 . . . . 0.0 111.006 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.552 ' HA ' HG11 ' A' ' 27' ' ' VAL . . . -77.48 -37.57 51.01 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.301 0.64 . . . . 0.0 110.454 -178.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -62.25 -42.63 99.5 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 123.966 0.791 . . . . 0.0 109.726 173.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -61.19 -41.8 97.46 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.864 0.865 . . . . 0.0 110.118 175.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.51 -48.99 77.8 Favored Glycine 0 C--N 1.345 1.048 0 O-C-N 123.46 0.475 . . . . 0.0 113.01 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.424 ' HB3' HD21 ' A' ' 48' ' ' LEU . 46.4 mt -69.0 -26.76 65.18 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.106 0.962 . . . . 0.0 110.49 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.9 tp -76.07 -39.03 56.31 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 123.25 0.62 . . . . 0.0 110.885 176.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -93.5 -62.72 1.31 Allowed 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 120.942 0.401 . . . . 0.0 110.787 -173.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -79.39 -29.25 41.96 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.873 0.869 . . . . 0.0 111.72 -174.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.417 ' HA2' HD12 ' A' ' 52' ' ' LEU . . . 100.76 -155.63 19.31 Favored Glycine 0 C--N 1.343 0.948 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.991 178.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -88.58 19.5 3.89 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.505 0.722 . . . . 0.0 112.284 -176.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.436 ' O ' HG12 ' A' ' 23' ' ' ILE . 28.5 m-80 -74.38 87.55 2.04 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 177.159 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -60.25 -27.75 67.48 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.816 0.846 . . . . 0.0 112.023 -168.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.1 t -67.0 -38.09 85.38 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.256 0.622 . . . . 0.0 110.761 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.98 -44.97 45.24 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.666 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.436 HG12 ' O ' ' A' ' 19' ' ' ASN . 26.6 mm -67.38 -52.48 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.078 -174.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.29 -22.33 64.73 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -174.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -80.72 -33.48 35.21 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 122.85 0.46 . . . . 0.0 110.073 176.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 55.7 ttp -77.94 -59.18 2.89 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.54 0.736 . . . . 0.0 111.452 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.554 HG13 HG22 ' A' ' 8' ' ' THR . 3.8 m -85.71 -42.36 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.203 1.001 . . . . 0.0 111.563 -171.209 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.03 -39.84 11.12 Favored Glycine 0 C--N 1.35 1.336 0 O-C-N 123.587 0.554 . . . . 0.0 112.187 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.6 t 65.39 10.26 6.4 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.127 1.371 . . . . 0.0 112.036 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -133.68 -78.23 0.47 Allowed 'General case' 0 C--N 1.36 1.031 0 O-C-N 121.84 -0.537 . . . . 0.0 111.719 -172.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.2 m -125.23 136.99 54.1 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.018 0.527 . . . . 0.0 111.407 -165.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.6 -40.89 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 123.657 0.783 . . . . 0.0 111.18 175.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.3 m -57.95 -28.8 64.65 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.111 0.964 . . . . 0.0 111.856 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -62.09 -49.06 77.45 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.537 0.735 . . . . 0.0 111.381 -178.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 51.9 t -72.92 -26.6 61.46 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.15 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.436 ' HE2' ' HB3' ' A' ' 36' ' ' LYS . 37.0 mtpt -65.61 -41.7 92.43 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.393 171.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -66.64 -29.91 70.05 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.478 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -50.54 -44.86 56.51 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 124.066 0.946 . . . . 0.0 110.331 172.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -64.79 -33.49 76.1 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 114.148 -1.387 . . . . 0.0 112.25 -172.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 . . . . . 0 N--CA 1.478 0.973 0 C-N-CA 123.033 0.533 . . . . 0.0 111.936 -173.677 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.424 HD21 ' HB3' ' A' ' 13' ' ' LEU . 3.0 tm? . . . . . 0 CA--C 1.543 0.687 0 CA-C-O 120.907 0.384 . . . . 0.0 111.344 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -64.64 -32.18 73.72 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.364 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 40.2 tt0 -74.33 -39.17 63.01 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.098 0.559 . . . . 0.0 110.255 177.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.2 mt -57.3 -46.84 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 123.368 0.667 . . . . 0.0 110.542 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.417 HD12 ' HA2' ' A' ' 17' ' ' GLY . 4.5 mm? -72.29 -31.27 65.58 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.721 178.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -65.45 -49.82 67.7 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.81 0.444 . . . . 0.0 110.654 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 80.3 mm-40 -60.96 -48.92 79.6 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 124.159 0.912 . . . . 0.0 109.678 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -53.18 -46.0 68.75 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 123.68 0.612 . . . . 0.0 111.394 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -59.71 -57.39 13.14 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 123.756 0.66 . . . . 0.0 110.776 -177.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 pp -68.33 -30.02 68.9 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.595 0.56 . . . . 0.0 111.783 -173.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.528 ' HA ' ' HE3' ' A' ' 61' ' ' LYS . 59.4 mtpt -68.29 -49.91 57.23 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.075 0.55 . . . . 0.0 111.158 178.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 37.5 mmt -65.6 -42.75 91.29 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 123.616 0.573 . . . . 0.0 109.931 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -69.87 -41.76 74.38 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.358 -171.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.528 ' HE3' ' HA ' ' A' ' 58' ' ' LYS . 23.1 pttp -67.46 -41.69 84.25 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 123.032 0.208 . . . . 0.0 111.37 -174.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -27.67 60.61 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.465 0.306 . . . . 0.0 110.507 178.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -68.77 -40.21 79.84 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.131 0.972 . . . . 0.0 110.134 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 . . . . . 0 N--CA 1.471 0.581 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.746 176.079 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 40.5 m95 . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.5 m -76.38 163.89 26.54 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 123.719 0.808 . . . . 0.0 109.416 174.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.498 ' HA ' ' HB2' ' A' ' 6' ' ' MET . 38.3 mt-10 -57.18 -19.37 20.26 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -176.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -63.14 -57.52 10.28 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.461 0.704 . . . . 0.0 110.607 175.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -77.56 -29.45 52.2 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.25 0.62 . . . . 0.0 110.9 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.498 ' HB2' ' HA ' ' A' ' 3' ' ' GLU . 84.0 mmm -63.53 -38.97 93.17 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.206 0.602 . . . . 0.0 110.907 172.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.93 -32.39 53.34 Favored Glycine 0 C--N 1.343 0.924 0 O-C-N 123.817 0.698 . . . . 0.0 112.768 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.402 HG21 HG12 ' A' ' 27' ' ' VAL . 32.6 m -77.32 -29.57 53.67 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.229 0.612 . . . . 0.0 110.61 175.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.08 -33.07 61.63 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.368 0.667 . . . . 0.0 109.592 174.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.509 ' HG2' HD12 ' A' ' 51' ' ' ILE . 1.2 tmtp? -64.65 -51.93 60.01 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.204 1.001 . . . . 0.0 109.662 174.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -59.73 -38.76 82.6 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.0 1.32 . . . . 0.0 110.014 176.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.25 -48.83 56.59 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-N 115.04 -0.982 . . . . 0.0 112.436 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.55 HD12 HD12 ' A' ' 48' ' ' LEU . 76.0 mt -66.11 -39.28 89.81 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.231 0.612 . . . . 0.0 110.871 -175.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.48 HD11 ' HB2' ' A' ' 55' ' ' HIS . 42.1 tp -59.47 -54.42 46.87 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 123.665 0.603 . . . . 0.0 110.548 175.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -65.65 -57.4 8.2 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.582 0.753 . . . . 0.0 110.651 -174.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.44 ' HB2' HD13 ' A' ' 23' ' ' ILE . 85.0 m-70 -78.11 -14.94 59.29 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.037 0.935 . . . . 0.0 112.974 -173.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 68.79 56.4 9.5 Favored Glycine 0 CA--C 1.538 1.479 0 CA-C-O 120.082 -0.288 . . . . 0.0 113.476 177.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.535 ' HG3' ' HG ' ' A' ' 52' ' ' LEU . 57.2 mtt180 59.63 23.11 11.86 Favored 'General case' 0 N--CA 1.5 2.052 0 C-N-CA 124.545 1.138 . . . . 0.0 113.561 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.486 ' O ' HG12 ' A' ' 23' ' ' ILE . 19.9 t-20 -75.21 86.55 2.44 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 176.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 45.3 m95 -58.84 -26.45 64.18 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 123.882 0.873 . . . . 0.0 112.232 -172.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.503 ' HA ' HG21 ' A' ' 32' ' ' VAL . 45.2 t -59.32 -47.51 85.11 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.172 0.989 . . . . 0.0 110.573 173.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.19 -38.67 63.56 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 115.008 -0.997 . . . . 0.0 111.735 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.486 HG12 ' O ' ' A' ' 19' ' ' ASN . 19.6 mm -72.51 -42.45 63.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 122.752 0.421 . . . . 0.0 110.617 -173.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.36 -37.21 79.99 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.858 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.3 ttt85 -73.38 -38.79 65.53 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 123.497 0.719 . . . . 0.0 110.879 174.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.5 ttt -68.33 -61.46 1.83 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.39 0.676 . . . . 0.0 111.599 -172.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.402 HG12 HG21 ' A' ' 8' ' ' THR . 18.9 m -87.17 -42.9 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 123.189 0.595 . . . . 0.0 111.708 -176.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.19 -41.21 8.67 Favored Glycine 0 C--N 1.346 1.122 0 CA-C-N 115.503 -0.771 . . . . 0.0 114.031 -174.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t 58.81 30.1 19.62 Favored 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 124.491 1.116 . . . . 0.0 109.474 -162.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -129.31 172.74 11.18 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.911 1.285 . . . . 0.0 110.076 -167.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.6 m -45.47 142.15 2.37 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 126.039 1.736 . . . . 0.0 113.46 176.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.503 HG21 ' HA ' ' A' ' 21' ' ' SER . 76.5 t -55.8 -37.27 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 C-N-CA 123.969 0.907 . . . . 0.0 111.149 178.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.406 ' HA ' ' HE3' ' A' ' 36' ' ' LYS . 15.6 m -54.22 -35.29 62.27 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.623 1.169 . . . . 0.0 112.241 178.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -63.05 -54.36 39.35 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.999 0.52 . . . . 0.0 111.923 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.419 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 44.0 t -71.78 -32.82 68.05 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-O 121.179 0.514 . . . . 0.0 111.179 -176.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' A' ' 33' ' ' SER . 24.9 ttpp -67.54 -46.77 71.82 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.308 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -74.57 -24.95 58.99 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.727 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.46 ' HZ ' ' SD ' ' A' ' 6' ' ' MET . 41.9 t80 -59.95 -24.56 64.48 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.473 0.709 . . . . 0.0 111.228 176.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -63.78 -16.53 61.44 Favored 'General case' 0 CA--C 1.56 1.357 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 178.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 . . . . . 0 CA--C 1.559 1.302 0 C-N-CA 124.765 1.226 . . . . 0.0 110.655 177.456 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.55 HD12 HD12 ' A' ' 13' ' ' LEU . 2.5 tm? . . . . . 0 N--CA 1.483 1.202 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -66.26 -38.35 87.65 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.061 -172.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 12.7 pt-20 -62.04 -37.03 83.39 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.578 0.751 . . . . 0.0 110.363 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.509 HD12 ' HG2' ' A' ' 10' ' ' LYS . 92.5 mt -54.73 -46.23 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.198 0.999 . . . . 0.0 111.348 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.535 ' HG ' ' HG3' ' A' ' 18' ' ' ARG . 4.3 mm? -77.54 -33.64 54.1 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.647 -178.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -65.48 -38.7 90.52 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 17.8 mm-40 -70.85 -42.36 70.22 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.942 176.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.48 ' HB2' HD11 ' A' ' 14' ' ' LEU . 27.1 t-80 -54.19 -45.54 72.18 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.105 0.562 . . . . 0.0 110.217 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -59.33 -53.79 54.2 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.004 0.921 . . . . 0.0 112.062 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.3 -25.28 63.25 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.643 0.377 . . . . 0.0 111.717 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.526 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 7.5 mtpm? -72.03 -49.64 35.13 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 122.941 0.497 . . . . 0.0 110.501 175.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 17.7 mmt -53.33 -38.79 63.54 Favored 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 124.021 0.928 . . . . 0.0 110.327 175.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -69.15 -53.99 17.25 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 114.372 -1.286 . . . . 0.0 111.63 178.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.526 ' HG2' ' HA ' ' A' ' 58' ' ' LYS . 21.2 ptmt -69.26 -38.4 78.39 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -169.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.21 -38.58 78.65 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.047 0.539 . . . . 0.0 110.705 -177.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -73.47 -37.3 65.83 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.097 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 57.9 t30 . . . . . 0 N--CA 1.474 0.767 0 C-N-CA 122.889 0.476 . . . . 0.0 110.472 178.874 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 73.1 m95 . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.9 m -67.91 150.25 48.77 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 171.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -61.03 -23.23 65.27 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-N 118.278 0.49 . . . . 0.0 111.512 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -62.65 -56.33 18.72 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.607 0.763 . . . . 0.0 111.241 175.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -72.62 -29.1 63.19 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.191 0.596 . . . . 0.0 110.841 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 37.9 ttm -66.91 -31.5 72.14 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.139 0.976 . . . . 0.0 110.874 177.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.37 -35.06 75.43 Favored Glycine 0 C--N 1.347 1.149 0 O-C-N 123.675 0.609 . . . . 0.0 112.429 174.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.6 m -69.42 -36.36 76.61 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.625 0.77 . . . . 0.0 110.323 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.23 -45.6 76.28 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.037 175.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -59.24 -42.82 91.99 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.968 1.307 . . . . 0.0 111.444 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -72.9 -34.94 66.96 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.32 0.648 . . . . 0.0 110.521 178.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.47 -44.9 92.32 Favored Glycine 0 C--N 1.347 1.141 0 N-CA-C 112.176 -0.37 . . . . 0.0 112.176 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.502 HD22 HG13 ' A' ' 23' ' ' ILE . 43.0 mt -63.26 -24.36 67.84 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.946 1.298 . . . . 0.0 111.053 177.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.7 tt -75.48 -58.19 3.43 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 122.772 0.429 . . . . 0.0 109.954 170.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.76 -63.07 1.43 Allowed 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 124.127 0.971 . . . . 0.0 111.98 -170.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -82.14 -25.83 34.02 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.453 -173.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.19 -175.17 23.68 Favored Glycine 0 C--N 1.336 0.563 0 N-CA-C 110.159 -1.176 . . . . 0.0 110.159 -166.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.466 ' HG3' HD23 ' A' ' 13' ' ' LEU . 40.6 ttp180 -85.06 32.32 0.54 Allowed 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 117.586 0.693 . . . . 0.0 110.948 -178.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.428 ' O ' HG12 ' A' ' 23' ' ' ILE . 39.7 m-20 -75.25 88.48 2.52 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.559 1.143 . . . . 0.0 108.687 -177.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -58.88 -25.75 63.63 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -166.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.448 ' HA ' HG22 ' A' ' 32' ' ' VAL . 42.6 t -68.99 -42.39 76.58 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 117.949 0.34 . . . . 0.0 110.349 177.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.89 -41.82 64.25 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.028 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.502 HG13 HD22 ' A' ' 13' ' ' LEU . 40.1 mm -69.55 -37.72 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.172 0.589 . . . . 0.0 110.529 -175.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.21 -22.44 57.95 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.01 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -82.24 -26.02 33.6 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.032 0.533 . . . . 0.0 110.123 172.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.5 ttt -76.07 -60.52 2.29 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.534 0.734 . . . . 0.0 110.627 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.0 m -85.97 -47.74 16.36 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 C-N-CA 123.044 0.538 . . . . 0.0 111.743 -174.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.59 -41.33 9.08 Favored Glycine 0 C--N 1.352 1.437 0 C-N-CA 122.83 0.252 . . . . 0.0 113.018 -178.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.2 t 56.86 23.71 8.43 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 125.205 1.402 . . . . 0.0 112.119 -173.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -136.01 -69.14 0.49 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.955 0.502 . . . . 0.0 111.903 -172.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 60.8 m -133.59 131.51 39.75 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -169.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.448 HG22 ' HA ' ' A' ' 21' ' ' SER . 68.0 t -63.05 -42.78 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 C-N-CA 124.473 1.109 . . . . 0.0 111.401 177.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.9 m -56.6 -44.04 80.73 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.873 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -57.41 -45.24 84.8 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -172.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 47.8 t -77.05 -33.41 57.28 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.451 -178.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -70.64 -46.93 62.38 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.195 0.598 . . . . 0.0 110.814 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -61.21 -32.9 72.67 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.726 1.21 . . . . 0.0 111.342 -175.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -48.06 -45.51 32.4 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.584 1.153 . . . . 0.0 111.584 175.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -58.39 -30.69 67.01 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.506 -175.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 . . . . . 0 CA--C 1.547 0.84 0 C-N-CA 124.308 1.043 . . . . 0.0 111.916 -174.79 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.534 ' HA ' HD12 ' A' ' 51' ' ' ILE . 2.9 tm? . . . . . 0 CA--C 1.55 0.949 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -54.7 -43.21 72.34 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.533 1.133 . . . . 0.0 111.572 173.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.459 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 12.3 pt-20 -73.81 -23.8 59.72 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 123.252 0.345 . . . . 0.0 111.279 -178.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' A' ' 48' ' ' LEU . 1.8 mp -64.96 -46.96 90.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 C-N-CA 123.234 0.614 . . . . 0.0 109.535 175.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.72 -38.51 86.83 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.858 176.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -67.57 -41.29 84.42 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.372 0.669 . . . . 0.0 111.229 -177.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 14.9 mm-40 -65.15 -47.69 76.18 Favored 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -61.89 -30.06 70.62 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 123.573 0.546 . . . . 0.0 110.873 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -70.49 -52.01 25.0 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.969 0.908 . . . . 0.0 111.421 -179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 pp -72.25 -27.74 62.69 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.021 0.528 . . . . 0.0 111.46 -176.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.438 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 97.0 mttt -73.73 -40.45 63.55 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 174.295 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 57.3 ttp -57.25 -36.4 70.93 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.877 0.871 . . . . 0.0 111.316 178.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -68.67 -58.73 3.82 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.765 177.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.438 ' HG2' ' HA ' ' A' ' 58' ' ' LYS . 59.7 pttt -65.05 -33.88 77.1 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 123.467 0.48 . . . . 0.0 112.009 -170.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -77.36 -32.55 55.12 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.726 0.41 . . . . 0.0 110.806 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -74.64 -35.31 62.87 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.335 0.654 . . . . 0.0 109.694 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 CA--C 1.542 0.66 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.562 173.429 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 99.5 m95 . . . . . 0 N--CA 1.473 0.706 0 CA-C-O 121.145 0.498 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.0 m -78.14 155.5 30.44 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.552 1.141 . . . . 0.0 109.361 173.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -57.21 -20.86 29.54 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -175.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -73.23 -55.23 6.72 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.68 0.392 . . . . 0.0 110.5 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -68.72 -30.39 69.02 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 122.891 0.477 . . . . 0.0 110.684 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 46.6 tpp -66.16 -38.45 88.13 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.381 1.072 . . . . 0.0 110.555 175.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.23 -36.78 71.23 Favored Glycine 0 C--N 1.344 0.973 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.347 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.6 m -73.98 -28.78 61.65 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.271 0.628 . . . . 0.0 110.217 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.31 -50.14 42.36 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 177.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.404 ' HG3' HD12 ' A' ' 51' ' ' ILE . 76.5 tttt -55.88 -42.24 75.63 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.898 1.279 . . . . 0.0 111.137 173.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -67.55 -35.59 79.35 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 123.786 0.679 . . . . 0.0 110.251 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.24 -46.01 67.07 Favored Glycine 0 C--N 1.341 0.855 0 CA-C-N 116.079 -0.509 . . . . 0.0 112.155 174.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.7 mt -65.3 -23.46 67.03 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.589 1.156 . . . . 0.0 110.724 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.512 HD12 ' HB2' ' A' ' 55' ' ' HIS . 63.2 tp -75.26 -60.56 2.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.033 0.533 . . . . 0.0 109.625 171.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -75.66 -60.69 2.2 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.247 0.619 . . . . 0.0 111.547 -168.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -67.7 -41.13 84.09 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 121.547 0.689 . . . . 0.0 110.328 176.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.62 -167.62 16.64 Favored Glycine 0 CA--C 1.523 0.546 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.964 -170.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 46.5 mtm180 -82.73 50.0 1.6 Allowed 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 121.592 0.71 . . . . 0.0 110.997 176.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.437 ' O ' HG12 ' A' ' 23' ' ' ILE . 70.7 m-20 -88.83 90.9 8.61 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 107.362 -1.348 . . . . 0.0 107.362 175.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.417 ' HE3' ' SG ' ' A' ' 35' ' ' CYS . 57.9 m95 -56.89 -38.35 72.65 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.482 1.113 . . . . 0.0 113.066 -163.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.1 t -62.3 -50.38 71.9 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.178 0.591 . . . . 0.0 110.557 175.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.54 -40.94 96.49 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.413 0.685 . . . . 0.0 111.857 -176.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 19' ' ' ASN . 25.1 mm -75.22 -39.57 42.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 123.052 0.541 . . . . 0.0 110.436 -175.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.51 -23.8 62.72 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.269 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -82.7 -28.85 30.26 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.345 0.658 . . . . 0.0 110.775 170.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.2 ttt -74.41 -61.21 1.95 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.008 0.523 . . . . 0.0 110.943 -176.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.8 m -88.92 -46.23 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 122.84 0.456 . . . . 0.0 111.955 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.31 -24.99 62.24 Favored Glycine 0 C--N 1.344 0.986 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.653 -175.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.6 t 65.09 13.42 8.69 Favored 'General case' 0 CA--C 1.559 1.321 0 C-N-CA 124.803 1.241 . . . . 0.0 112.06 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.464 ' HB2' ' NE2' ' A' ' 34' ' ' GLN . 28.1 mtpp -140.29 -147.53 0.22 Allowed 'General case' 0 CA--C 1.566 1.561 0 C-N-CA 123.866 0.867 . . . . 0.0 110.567 -170.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 56.0 m -67.62 148.87 50.81 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.196 1.398 . . . . 0.0 112.984 -170.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.9 p -47.98 -32.36 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 C-N-CA 125.719 1.607 . . . . 0.0 113.007 177.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.2 m -52.43 -33.88 46.08 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.787 1.235 . . . . 0.0 113.507 -177.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.464 ' NE2' ' HB2' ' A' ' 30' ' ' LYS . 41.0 mt-30 -58.37 -49.56 76.79 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.957 0.503 . . . . 0.0 111.963 -174.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.417 ' SG ' ' HE3' ' A' ' 20' ' ' TRP . 35.8 t -77.09 -31.52 55.98 Favored 'General case' 0 N--CA 1.481 1.102 0 O-C-N 123.52 0.512 . . . . 0.0 110.937 -175.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.38 -48.33 75.89 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.266 0.627 . . . . 0.0 111.285 175.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -71.79 -41.9 67.74 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.833 -177.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -49.13 -46.96 45.81 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 124.358 1.063 . . . . 0.0 111.654 176.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -65.81 -40.68 92.11 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.775 -169.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 . . . . . 0 CA--C 1.556 1.177 0 C-N-CA 123.467 0.707 . . . . 0.0 112.387 -172.56 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.484 ' HA ' HD13 ' A' ' 51' ' ' ILE . 2.3 tm? . . . . . 0 CA--C 1.549 0.935 0 CA-C-O 120.651 0.262 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -61.99 -39.55 92.59 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.431 0.692 . . . . 0.0 111.134 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -72.16 -36.94 69.44 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.687 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.484 HD13 ' HA ' ' A' ' 48' ' ' LEU . 82.0 mt -57.98 -42.42 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 124.086 0.954 . . . . 0.0 111.315 179.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.426 HD23 HD11 ' A' ' 48' ' ' LEU . 4.1 mm? -67.11 -46.47 74.08 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.172 177.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -59.64 -45.85 90.75 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.842 0.857 . . . . 0.0 110.992 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.433 ' HB3' ' HE2' ' A' ' 58' ' ' LYS . 18.0 mm-40 -60.88 -52.21 66.01 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 124.062 0.851 . . . . 0.0 110.524 179.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.512 ' HB2' HD12 ' A' ' 14' ' ' LEU . 68.6 t60 -55.88 -41.26 74.17 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.322 0.649 . . . . 0.0 111.339 -178.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -60.42 -58.47 8.35 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.251 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 pp -74.14 -28.56 61.39 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.968 0.507 . . . . 0.0 112.239 -171.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.433 ' HE2' ' HB3' ' A' ' 54' ' ' GLN . 68.5 mttm -67.67 -48.49 66.47 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 176.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 49.0 ttm -68.0 -29.89 69.02 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 123.92 0.763 . . . . 0.0 111.128 177.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -71.95 -44.47 63.53 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 122.916 0.486 . . . . 0.0 111.188 -177.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -69.68 -39.99 76.66 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.693 -174.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.72 -34.76 72.26 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 123.336 0.398 . . . . 0.0 109.961 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -60.97 -44.0 97.98 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.369 1.068 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 64.4 t30 . . . . . 0 C--O 1.219 -0.519 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.701 178.642 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . 0.416 ' HB2' ' HE2' ' A' ' 6' ' ' MET . 83.8 m95 . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.607 0.241 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.5 m -71.34 155.6 40.47 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.683 1.193 . . . . 0.0 109.58 172.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.04 -20.99 63.19 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -66.25 -55.59 15.42 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.337 0.655 . . . . 0.0 110.688 174.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -74.89 -27.78 60.37 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.561 0.745 . . . . 0.0 111.452 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.416 ' HE2' ' HB2' ' A' ' 1' ' ' TRP . 8.6 mmt -59.62 -45.57 91.56 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.894 0.878 . . . . 0.0 110.167 169.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.31 -36.3 92.57 Favored Glycine 0 C--N 1.343 0.963 0 CA-C-N 114.979 -1.01 . . . . 0.0 112.735 175.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.3 m -69.29 -33.52 73.33 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.544 0.738 . . . . 0.0 111.13 176.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.22 -38.37 56.5 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.452 0.701 . . . . 0.0 110.286 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -67.1 -47.49 71.04 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.458 0.703 . . . . 0.0 109.761 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -72.04 -31.95 66.65 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.974 0.91 . . . . 0.0 110.078 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.86 -56.38 14.86 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.893 176.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.428 HD23 HG13 ' A' ' 23' ' ' ILE . 44.8 mt -61.28 -32.19 72.02 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.111 0.964 . . . . 0.0 111.051 177.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.2 tp -58.36 -57.83 11.16 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.828 0.851 . . . . 0.0 110.133 175.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -78.77 -59.98 2.56 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.763 0.825 . . . . 0.0 112.517 -171.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -79.76 -7.1 58.44 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.697 0.799 . . . . 0.0 111.724 -170.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.538 ' HA2' HD11 ' A' ' 52' ' ' LEU . . . 87.13 -174.71 45.83 Favored Glycine 0 C--N 1.343 0.968 0 N-CA-C 112.062 -0.415 . . . . 0.0 112.062 -176.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -86.06 35.43 0.64 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.479 0.712 . . . . 0.0 111.171 178.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -81.34 95.86 7.14 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.259 1.024 . . . . 0.0 108.261 178.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.447 ' HE3' ' SG ' ' A' ' 35' ' ' CYS . 26.8 m95 -60.23 -32.23 70.93 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.693 0.797 . . . . 0.0 112.025 -168.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.412 ' HA ' HG22 ' A' ' 32' ' ' VAL . 32.2 t -65.53 -39.0 91.27 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.398 0.679 . . . . 0.0 111.395 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.81 -46.36 58.45 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.429 0.692 . . . . 0.0 110.476 -177.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.549 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 24.9 mm -73.34 -29.92 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.136 -175.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.433 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . . . -62.63 -32.28 73.29 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.175 0.59 . . . . 0.0 112.235 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -81.45 -37.82 27.4 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 175.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.3 ttt -64.63 -59.47 4.24 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.25 0.62 . . . . 0.0 111.189 -176.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 23' ' ' ILE . 13.1 m -88.04 -46.2 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.233 0.613 . . . . 0.0 112.305 -178.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.1 -43.81 7.93 Favored Glycine 0 C--N 1.349 1.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 113.193 -171.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.3 m 55.35 29.13 12.47 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.927 1.291 . . . . 0.0 111.845 -173.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -139.04 -80.91 0.31 Allowed 'General case' 0 C--N 1.354 0.778 0 C-N-CA 122.392 0.277 . . . . 0.0 111.403 -169.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.6 m -139.94 151.72 45.79 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.569 0.748 . . . . 0.0 110.227 -174.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.433 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 95.3 t -63.75 -32.8 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 123.599 0.76 . . . . 0.0 111.79 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.7 m -57.37 -26.78 61.57 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.957 0.903 . . . . 0.0 112.532 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -63.34 -52.18 62.85 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.8 0.44 . . . . 0.0 110.846 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.549 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 53.0 t -74.82 -32.01 61.84 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.521 -178.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -74.41 -47.45 33.79 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.627 0.771 . . . . 0.0 111.101 -176.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -74.79 -20.01 59.96 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.336 0.654 . . . . 0.0 111.036 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -58.99 -37.79 77.67 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.087 0.555 . . . . 0.0 109.879 170.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -71.55 -18.56 62.25 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.214 1.005 . . . . 0.0 111.721 -176.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.2 m-30 . . . . . 0 N--CA 1.484 1.233 0 C-N-CA 123.267 0.627 . . . . 0.0 111.144 -179.911 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 tm? . . . . . 0 CA--C 1.548 0.895 0 CA-C-O 121.092 0.472 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -64.07 -38.49 91.27 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.628 0.771 . . . . 0.0 111.189 173.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -70.79 -34.35 71.67 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.265 0.626 . . . . 0.0 110.402 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.4 mt -62.74 -43.42 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.302 0.641 . . . . 0.0 109.703 177.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.538 HD11 ' HA2' ' A' ' 17' ' ' GLY . 4.3 mm? -68.77 -35.39 76.99 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.549 175.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.98 -36.96 75.6 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 122.976 0.511 . . . . 0.0 110.381 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -66.5 -40.63 89.34 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.196 0.598 . . . . 0.0 110.173 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -65.37 -37.05 85.85 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 123.718 0.636 . . . . 0.0 110.31 176.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -67.68 -61.41 1.9 Allowed 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.549 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 pp -62.48 -36.48 82.62 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.749 0.819 . . . . 0.0 111.569 -171.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -64.03 -60.07 3.69 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 123.51 0.506 . . . . 0.0 110.048 175.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 51.3 ttm -60.24 -30.71 69.59 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 123.742 0.651 . . . . 0.0 111.248 -176.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -65.73 -60.1 3.24 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.918 0.887 . . . . 0.0 109.845 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -71.35 -33.58 69.72 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.908 -171.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.32 -30.61 57.76 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.465 0.306 . . . . 0.0 110.682 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -67.74 -55.0 14.79 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 174.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 . . . . . 0 N--CA 1.476 0.844 0 O-C-N 123.307 0.379 . . . . 0.0 111.203 179.812 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 55.5 m95 . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 120.735 0.303 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 34.1 m -107.47 161.58 14.7 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 124.405 1.082 . . . . 0.0 109.069 176.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -53.91 -19.23 4.24 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -56.16 -58.98 5.62 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-O 121.353 0.597 . . . . 0.0 110.575 171.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -81.18 -34.32 32.43 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.102 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.44 ' HE1' ' HZ ' ' A' ' 38' ' ' PHE . 89.3 mtp -75.33 -23.29 57.24 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.407 0.683 . . . . 0.0 112.022 -177.396 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.1 -42.42 58.7 Favored Glycine 0 C--N 1.338 0.674 0 N-CA-C 111.642 -0.583 . . . . 0.0 111.642 174.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.9 m -68.44 -36.73 79.45 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.349 0.66 . . . . 0.0 110.583 175.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.77 -48.95 74.88 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.425 0.69 . . . . 0.0 110.09 176.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -61.04 -41.26 96.25 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.653 1.181 . . . . 0.0 110.836 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -62.66 -39.72 94.78 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.454 0.702 . . . . 0.0 109.559 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.27 -42.01 96.44 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.513 176.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.453 HD12 HD22 ' A' ' 48' ' ' LEU . 35.4 mt -67.19 -32.77 74.07 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.872 0.869 . . . . 0.0 110.766 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 tt -80.93 -31.69 34.94 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.655 0.782 . . . . 0.0 111.881 177.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -84.41 -60.09 2.18 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-O 121.29 0.567 . . . . 0.0 110.59 -175.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -81.04 -57.84 3.34 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.452 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 135.17 -163.72 24.84 Favored Glycine 0 C--N 1.341 0.806 0 CA-C-N 114.302 -1.317 . . . . 0.0 110.561 -170.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -83.96 24.62 0.89 Allowed 'General case' 0 CA--C 1.565 1.544 0 CA-C-N 117.642 0.721 . . . . 0.0 111.218 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.447 ' O ' HG12 ' A' ' 23' ' ' ILE . 1.8 m-20 -67.93 96.26 0.58 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.611 1.164 . . . . 0.0 109.299 -179.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -50.77 -47.83 59.46 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.854 1.261 . . . . 0.0 112.542 -167.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.9 t -61.98 -44.42 96.78 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.724 0.81 . . . . 0.0 111.64 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.72 -33.23 75.19 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.759 0.424 . . . . 0.0 111.474 -177.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.523 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 10.5 mm -82.03 -39.2 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-O 121.038 0.446 . . . . 0.0 110.294 179.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.97 -39.17 90.15 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.995 0.918 . . . . 0.0 111.693 -176.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -81.11 -23.5 38.35 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.796 0.838 . . . . 0.0 110.915 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.2 ttt -72.27 -59.79 2.56 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.946 0.498 . . . . 0.0 110.67 177.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.3 m -85.62 -48.96 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 122.706 0.403 . . . . 0.0 111.798 -174.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.09 -30.08 32.31 Favored Glycine 0 C--N 1.344 0.974 0 CA-C-O 119.768 -0.462 . . . . 0.0 113.773 -176.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.1 t 61.59 32.44 18.6 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.372 1.069 . . . . 0.0 109.674 -169.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.508 ' HG3' ' H ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -135.24 -178.19 4.99 Favored 'General case' 0 CA--C 1.556 1.193 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.823 -168.44 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.508 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 20.3 m -47.75 148.79 1.43 Allowed 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 126.21 1.804 . . . . 0.0 113.412 -179.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.1 p -50.9 -31.21 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 C-N-CA 124.996 1.318 . . . . 0.0 112.829 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.2 m -57.39 -32.86 67.24 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.114 1.366 . . . . 0.0 112.504 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.77 -55.22 37.02 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.242 1.017 . . . . 0.0 111.655 -173.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.523 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 34.6 t -70.55 -29.45 65.91 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 120.984 0.421 . . . . 0.0 111.191 -178.178 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -72.07 -33.84 68.25 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.566 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -78.03 -22.01 49.87 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.069 0.548 . . . . 0.0 111.095 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.44 ' HZ ' ' HE1' ' A' ' 6' ' ' MET . 43.2 t80 -65.16 -30.92 71.88 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.057 0.543 . . . . 0.0 110.36 170.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.51 ' HE1' ' HG ' ' A' ' 48' ' ' LEU . 16.2 t80 -63.41 -28.76 70.2 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.702 0.801 . . . . 0.0 112.713 -171.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 . . . . . 0 CA--C 1.547 0.846 0 C-N-CA 123.654 0.781 . . . . 0.0 110.522 -178.112 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.51 ' HG ' ' HE1' ' A' ' 39' ' ' TYR . 3.3 tm? . . . . . 0 CA--C 1.541 0.603 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -59.26 -33.74 71.4 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.512 178.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -64.15 -53.61 46.74 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.456 0.702 . . . . 0.0 109.918 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.2 mt -58.23 -49.43 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.381 -174.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -73.99 -41.61 61.66 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 114.657 -1.156 . . . . 0.0 111.728 -174.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -63.8 -42.53 97.7 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 122.715 0.406 . . . . 0.0 110.84 -177.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -68.02 -45.88 72.77 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.266 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -59.77 -40.84 89.57 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 122.459 0.304 . . . . 0.0 110.372 174.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -59.66 -54.46 46.2 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.415 1.086 . . . . 0.0 111.431 -176.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 pp -74.9 -30.18 61.21 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -175.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.524 ' HA ' ' HE3' ' A' ' 61' ' ' LYS . 67.1 mttm -66.51 -47.69 72.16 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 122.641 0.376 . . . . 0.0 110.254 176.095 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 51.9 ttp -67.41 -34.77 77.95 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 114.966 -1.016 . . . . 0.0 111.017 -177.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -74.74 -44.54 49.31 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.535 0.734 . . . . 0.0 110.758 -173.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.524 ' HE3' ' HA ' ' A' ' 58' ' ' LYS . 22.5 pttp -65.89 -39.19 90.4 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.68 0.392 . . . . 0.0 111.198 -175.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.88 -23.89 52.59 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.8 177.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -64.13 -48.58 75.53 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 176.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 . . . . . 0 N--CA 1.487 1.389 0 C-N-CA 122.513 0.325 . . . . 0.0 110.79 176.155 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 75.1 m95 . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.9 m -76.17 170.28 16.6 Favored 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 124.438 1.095 . . . . 0.0 109.481 171.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -61.72 -21.57 64.61 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -171.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -72.18 -51.74 19.8 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.845 0.858 . . . . 0.0 110.916 -176.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -77.7 -29.69 51.45 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.618 0.767 . . . . 0.0 110.321 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 45.5 tpp -59.14 -38.06 78.77 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.067 0.947 . . . . 0.0 109.862 168.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.77 -28.07 59.72 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-N 115.184 -0.917 . . . . 0.0 113.307 177.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 m -72.29 -33.16 67.21 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.101 0.561 . . . . 0.0 109.638 173.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.79 -29.36 50.8 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.957 0.903 . . . . 0.0 110.755 175.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.529 ' HG2' HD11 ' A' ' 51' ' ' ILE . 4.9 tmtm? -63.86 -47.58 80.16 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.666 0.786 . . . . 0.0 108.969 172.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -63.68 -41.58 98.13 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.756 1.222 . . . . 0.0 110.785 176.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.84 -58.88 8.27 Favored Glycine 0 C--N 1.343 0.95 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.124 -178.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.5 mt -59.61 -30.29 68.58 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.205 1.002 . . . . 0.0 110.771 -179.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 tt -60.93 -61.76 2.35 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 172.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -67.92 -59.94 2.89 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.548 0.739 . . . . 0.0 110.703 -170.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.42 ' HB2' HD13 ' A' ' 23' ' ' ILE . 76.8 m-70 -64.89 -25.61 67.97 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 115.201 -0.908 . . . . 0.0 111.52 -176.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.34 63.61 2.34 Favored Glycine 0 C--N 1.352 1.423 0 O-C-N 123.159 0.287 . . . . 0.0 112.634 175.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 56.6 24.07 8.39 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.334 1.454 . . . . 0.0 113.611 177.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.469 ' O ' HG12 ' A' ' 23' ' ' ILE . 6.8 m-80 -77.61 84.47 3.98 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 174.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.511 ' HE3' ' SG ' ' A' ' 35' ' ' CYS . 68.5 m95 -55.46 -31.47 61.99 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.758 1.223 . . . . 0.0 112.207 -169.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.3 t -63.9 -50.33 69.17 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.338 0.655 . . . . 0.0 110.078 176.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.72 -34.47 77.24 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.47 -178.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.519 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 20.1 mm -78.66 -41.98 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.319 0.648 . . . . 0.0 110.072 -176.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.74 -31.0 71.15 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.951 178.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.8 mtp85 -82.03 -38.14 25.44 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.688 0.795 . . . . 0.0 111.252 175.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.1 ttt -71.04 -62.61 1.33 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.154 0.582 . . . . 0.0 111.373 -175.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.3 m -89.77 -36.89 9.05 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 C-N-CA 123.568 0.747 . . . . 0.0 112.134 -177.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.37 -36.96 13.0 Favored Glycine 0 C--N 1.348 1.232 0 CA-C-N 115.879 -0.6 . . . . 0.0 113.992 -175.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 t 66.64 31.45 7.71 Favored 'General case' 0 CA--C 1.561 1.4 0 C-N-CA 124.673 1.189 . . . . 0.0 111.513 -176.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.468 ' HG2' ' H ' ' A' ' 31' ' ' THR . 64.4 tttt -157.91 -170.14 3.07 Favored 'General case' 0 CA--C 1.565 1.53 0 C-N-CA 123.243 0.617 . . . . 0.0 110.424 -175.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.468 ' H ' ' HG2' ' A' ' 30' ' ' LYS . 16.4 m -61.93 157.09 19.27 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.653 1.181 . . . . 0.0 113.303 -174.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.6 t -44.66 -36.31 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 C-N-CA 126.131 1.772 . . . . 0.0 112.93 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.2 t -48.94 -44.46 40.6 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.053 1.341 . . . . 0.0 112.455 -179.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -62.8 -37.58 87.3 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.215 0.606 . . . . 0.0 112.092 -175.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.519 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 49.3 t -71.25 -28.27 64.05 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 120.804 0.335 . . . . 0.0 110.79 177.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -71.48 -49.11 44.5 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.173 0.589 . . . . 0.0 111.634 177.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -73.13 -21.6 60.69 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.814 0.445 . . . . 0.0 111.073 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -58.13 -41.34 83.47 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.509 1.124 . . . . 0.0 110.854 170.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -63.13 -32.35 73.71 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.124 -173.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 . . . . . 0 CA--C 1.549 0.939 0 C-N-CA 124.18 0.992 . . . . 0.0 109.728 176.706 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.466 ' HA ' HD12 ' A' ' 51' ' ' ILE . 2.5 tm? . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -60.33 -42.38 95.54 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.367 0.667 . . . . 0.0 110.747 176.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 37.5 tt0 -68.42 -50.14 54.85 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.044 176.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.529 HD11 ' HG2' ' A' ' 10' ' ' LYS . 95.0 mt -50.59 -44.47 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 C-N-CA 124.346 1.058 . . . . 0.0 111.258 -178.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.17 -44.19 69.28 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.484 -177.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -66.64 -38.52 87.08 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.086 -178.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 79.7 mm-40 -69.3 -45.61 69.16 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -59.31 -36.35 75.46 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 122.857 0.463 . . . . 0.0 110.67 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -62.76 -55.69 24.26 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 123.73 0.644 . . . . 0.0 110.515 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 pp -71.72 -32.35 67.68 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 123.604 0.565 . . . . 0.0 111.868 -173.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -65.15 -55.87 16.16 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.358 0.663 . . . . 0.0 109.379 176.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 45.3 ttp -54.73 -45.75 74.15 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 124.35 1.031 . . . . 0.0 110.972 178.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -61.37 -47.99 83.33 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.632 0.773 . . . . 0.0 111.437 -173.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -73.9 -41.59 61.92 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.36 -174.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.5 -32.33 66.09 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 120.638 0.256 . . . . 0.0 110.858 -177.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -72.47 -39.47 67.7 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.616 177.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 . . . . . 0 N--CA 1.479 1.006 0 C-N-CA 122.964 0.506 . . . . 0.0 110.609 -179.495 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 66.2 m95 . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.5 m -69.8 161.58 29.56 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.943 0.897 . . . . 0.0 109.406 172.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -53.27 -35.54 60.16 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.035 0.934 . . . . 0.0 112.318 -173.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -60.55 -56.96 15.05 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.286 0.634 . . . . 0.0 111.378 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -74.12 -30.67 62.43 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.795 0.838 . . . . 0.0 111.228 -176.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 48.6 tpp -60.45 -43.72 96.59 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.309 1.044 . . . . 0.0 109.779 172.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.68 -28.25 65.62 Favored Glycine 0 C--N 1.351 1.391 0 CA-C-N 114.941 -1.027 . . . . 0.0 112.956 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.4 m -69.93 -42.44 73.26 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.052 0.541 . . . . 0.0 109.806 175.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.17 -54.23 40.88 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.518 177.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -49.43 -44.84 45.78 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.402 1.481 . . . . 0.0 111.805 175.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -62.19 -50.77 70.46 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.854 0.722 . . . . 0.0 110.683 -178.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.57 -31.2 79.96 Favored Glycine 0 C--N 1.346 1.128 0 O-C-N 124.063 0.852 . . . . 0.0 113.45 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.465 HD13 HD23 ' A' ' 48' ' ' LEU . 78.3 mt -78.31 -33.72 49.17 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.828 0.851 . . . . 0.0 110.697 179.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 tt -76.67 -25.94 54.24 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.49 0.716 . . . . 0.0 109.498 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -90.81 -63.03 1.33 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.378 0.671 . . . . 0.0 111.798 -176.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -82.1 -51.22 8.21 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.809 0.844 . . . . 0.0 110.324 -175.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.75 92.76 1.09 Allowed Glycine 0 C--N 1.343 0.956 0 CA-C-N 115.866 -0.606 . . . . 0.0 113.488 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 67.68 7.47 5.69 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 170.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.496 ' O ' HG12 ' A' ' 23' ' ' ILE . 19.5 m120 -79.93 77.13 6.62 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.576 ' HE3' ' SG ' ' A' ' 35' ' ' CYS . 14.2 m95 -56.1 -29.14 60.18 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.25 1.02 . . . . 0.0 112.045 -170.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.415 ' HA ' HG23 ' A' ' 32' ' ' VAL . 29.0 p -59.41 -51.72 68.67 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.887 0.875 . . . . 0.0 110.759 175.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.33 -40.05 81.74 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.234 -0.893 . . . . 0.0 111.126 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.63 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 18.3 mm -68.31 -41.77 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 O-C-N 123.499 0.499 . . . . 0.0 110.113 -175.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.11 -34.02 77.09 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.436 0.694 . . . . 0.0 111.543 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -79.75 -24.5 41.52 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.952 176.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.8 ttt -73.33 -55.79 5.94 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.481 0.712 . . . . 0.0 110.62 178.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 23' ' ' ILE . 28.6 m -85.64 -52.0 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 122.976 0.51 . . . . 0.0 111.621 -177.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.99 -37.1 11.84 Favored Glycine 0 C--N 1.341 0.832 0 CA-C-O 119.918 -0.379 . . . . 0.0 113.412 -174.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.7 t 64.31 21.48 12.52 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.287 1.035 . . . . 0.0 109.81 -163.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -120.99 -166.42 1.34 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.722 1.209 . . . . 0.0 110.144 -171.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 86.9 m -64.77 157.6 27.13 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 124.767 1.227 . . . . 0.0 111.895 179.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.415 HG23 ' HA ' ' A' ' 21' ' ' SER . 81.3 t -49.25 -30.0 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 C-N-CA 125.351 1.461 . . . . 0.0 112.725 179.063 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.4 m -46.83 -47.83 21.01 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.434 1.494 . . . . 0.0 112.331 178.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -61.12 -33.15 72.92 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 124.076 0.951 . . . . 0.0 112.863 -175.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.63 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 50.1 t -74.82 -37.56 62.26 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.055 0.455 . . . . 0.0 110.639 177.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -69.31 -28.24 66.09 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.949 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.03 -53.67 55.72 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.453 0.701 . . . . 0.0 109.87 174.07 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -50.84 -40.0 54.78 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.596 0.758 . . . . 0.0 111.789 177.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -63.12 -33.52 75.64 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.389 -173.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 N--CA 1.483 1.183 0 C-N-CA 123.459 0.704 . . . . 0.0 111.958 -177.446 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.465 HD23 HD13 ' A' ' 13' ' ' LEU . 2.8 tm? . . . . . 0 N--CA 1.476 0.827 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -50.72 -54.97 18.89 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.787 0.835 . . . . 0.0 112.281 -178.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 12.3 pt-20 -84.17 -21.96 31.14 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 118.998 -0.525 . . . . 0.0 112.114 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.73 -38.26 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 CA-C-O 121.312 0.577 . . . . 0.0 109.878 173.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.93 -30.07 39.87 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.384 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.402 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 23.2 tp60 -59.52 -41.43 89.96 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 170.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 87.3 mm-40 -62.83 -53.71 50.11 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 123.857 0.723 . . . . 0.0 109.914 174.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -50.94 -38.13 48.45 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.319 0.647 . . . . 0.0 111.364 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -67.12 -62.31 1.49 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.636 0.774 . . . . 0.0 110.248 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 pp -68.42 -31.9 71.57 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 123.584 0.553 . . . . 0.0 112.251 -168.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -65.32 -54.47 28.6 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.697 0.799 . . . . 0.0 111.32 -176.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 65.0 ttp -69.24 -37.85 78.2 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.587 0.555 . . . . 0.0 110.191 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -65.58 -47.9 74.21 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.161 0.584 . . . . 0.0 110.906 -174.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.423 ' HB2' ' HZ3' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -68.37 -38.87 81.79 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.896 0.478 . . . . 0.0 111.398 -174.192 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -77.45 -26.54 51.6 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 123.389 0.431 . . . . 0.0 110.291 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -71.8 -44.48 63.88 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 122.967 0.507 . . . . 0.0 109.738 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 173.364 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 37.6 m95 . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.1 m -68.81 153.11 44.37 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.42 0.688 . . . . 0.0 109.782 171.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.518 ' HA ' ' HB2' ' A' ' 6' ' ' MET . 45.2 mt-10 -53.5 -19.64 3.93 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.118 0.967 . . . . 0.0 113.419 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -63.48 -57.14 11.17 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.535 0.734 . . . . 0.0 110.87 176.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 pm0 -76.98 -28.64 55.19 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.051 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.518 ' HB2' ' HA ' ' A' ' 3' ' ' GLU . 87.9 mmm -61.89 -38.46 88.4 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.975 0.51 . . . . 0.0 110.777 172.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.16 -40.95 71.03 Favored Glycine 0 C--N 1.345 1.047 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.317 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.5 m -68.67 -30.61 69.33 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.225 0.61 . . . . 0.0 110.671 176.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.0 -48.97 40.92 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.282 0.633 . . . . 0.0 109.422 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -57.31 -40.78 78.6 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.575 1.15 . . . . 0.0 110.463 175.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -63.59 -44.62 93.48 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.633 0.773 . . . . 0.0 109.623 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -60.57 -39.64 96.74 Favored Glycine 0 C--N 1.344 1.02 0 O-C-N 123.812 0.695 . . . . 0.0 112.524 177.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.462 HD12 HD23 ' A' ' 48' ' ' LEU . 26.4 mt -76.67 -26.48 54.84 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 123.892 0.877 . . . . 0.0 110.599 -178.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.8 tp -80.23 -24.77 39.96 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.298 1.039 . . . . 0.0 111.952 173.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -108.86 -64.18 1.26 Allowed 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.486 0.714 . . . . 0.0 111.502 -173.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -77.09 -16.59 59.15 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.734 0.814 . . . . 0.0 110.799 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.93 -147.63 23.95 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-N 115.77 -0.65 . . . . 0.0 113.16 175.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -82.41 -2.19 52.35 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.09 0.956 . . . . 0.0 111.734 -173.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.494 ' O ' HG12 ' A' ' 23' ' ' ILE . 56.9 t-20 -62.97 92.06 0.05 OUTLIER 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.642 0.777 . . . . 0.0 109.447 -176.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -57.52 -30.76 65.43 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.908 0.883 . . . . 0.0 111.283 -174.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.2 t -66.79 -44.71 80.56 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.489 0.715 . . . . 0.0 110.223 177.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.9 -35.59 77.03 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.743 0.417 . . . . 0.0 111.525 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.506 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 11.5 mm -75.76 -42.55 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -178.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.66 -30.63 71.65 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.076 0.551 . . . . 0.0 110.625 177.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -77.27 -31.74 55.08 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.097 0.959 . . . . 0.0 110.547 177.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.2 ttt -78.0 -63.51 1.37 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.621 0.768 . . . . 0.0 111.656 -178.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.407 HG21 ' O ' ' A' ' 23' ' ' ILE . 18.8 m -88.4 -37.49 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 123.363 0.665 . . . . 0.0 112.2 -174.217 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.21 -27.48 44.34 Favored Glycine 0 C--N 1.344 1.011 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.638 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.8 t 63.85 18.41 11.14 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 124.834 1.254 . . . . 0.0 111.058 -174.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.45 ' HG2' ' H ' ' A' ' 31' ' ' THR . 57.3 tttt -137.61 -173.33 3.46 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.647 0.779 . . . . 0.0 110.342 -169.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.45 ' H ' ' HG2' ' A' ' 30' ' ' LYS . 7.2 m -73.83 160.19 31.8 Favored 'General case' 0 CA--C 1.57 1.745 0 C-N-CA 123.89 0.876 . . . . 0.0 112.172 -174.17 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.3 p -44.89 -32.48 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 C-N-CA 126.698 1.999 . . . . 0.0 115.655 -167.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.6 t -55.44 -33.46 63.6 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.626 0.77 . . . . 0.0 112.103 -174.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -56.96 -52.78 63.87 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 122.908 0.483 . . . . 0.0 112.186 -177.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.506 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 42.5 t -81.9 -31.87 31.21 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -175.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -68.34 -38.95 81.99 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -69.74 -38.05 76.68 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 119.163 -0.446 . . . . 0.0 110.258 173.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -54.25 -29.17 45.85 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.457 0.703 . . . . 0.0 111.725 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -63.73 -32.53 74.05 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 122.802 0.441 . . . . 0.0 111.531 -177.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 . . . . . 0 N--CA 1.479 0.987 0 C-N-CA 124.27 1.028 . . . . 0.0 110.463 -179.329 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.462 HD23 HD12 ' A' ' 13' ' ' LEU . 2.8 tm? . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.73 0.3 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -54.45 -43.28 71.49 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.285 176.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -79.35 -37.25 37.91 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.039 0.536 . . . . 0.0 111.223 177.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.1 mt -57.87 -40.29 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 C-N-CA 123.016 0.526 . . . . 0.0 110.617 -177.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -75.23 -33.14 61.32 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.715 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.445 ' HG3' HD23 ' A' ' 57' ' ' LEU . 60.8 tp60 -66.98 -44.04 81.46 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 178.026 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -64.57 -42.46 95.63 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.795 0.838 . . . . 0.0 109.74 177.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -54.28 -44.64 72.05 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.69 0.619 . . . . 0.0 110.43 175.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -68.56 -61.42 1.83 Allowed 'General case' 0 CA--C 1.542 0.654 0 O-C-N 123.851 0.719 . . . . 0.0 111.634 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.445 HD23 ' HG3' ' A' ' 53' ' ' GLN . 4.3 pp -64.28 -32.56 74.21 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.105 0.562 . . . . 0.0 112.043 -168.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -76.13 -35.63 59.16 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.232 0.613 . . . . 0.0 110.834 177.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 49.0 tpp -63.73 -53.46 50.82 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -64.4 -28.75 69.9 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.011 0.924 . . . . 0.0 111.43 -178.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -64.44 -57.03 10.43 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.349 0.659 . . . . 0.0 110.433 177.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.87 -30.24 65.21 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.465 -178.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.4 ttp85 -74.68 -39.23 62.12 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.297 0.639 . . . . 0.0 109.879 -175.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 66.9 t30 . . . . . 0 N--CA 1.476 0.861 0 C-N-CA 122.672 0.389 . . . . 0.0 110.212 176.562 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 60.8 m95 . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 120.636 0.255 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 92.0 m -75.14 152.93 38.45 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.096 0.959 . . . . 0.0 109.437 170.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -55.33 -23.83 25.9 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.75 0.82 . . . . 0.0 112.717 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -73.55 -54.61 7.79 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.219 0.608 . . . . 0.0 111.159 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -68.61 -30.3 69.0 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 122.676 0.39 . . . . 0.0 110.552 178.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 47.8 ttm -68.35 -36.34 79.09 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.306 1.042 . . . . 0.0 110.097 174.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.74 -29.09 65.91 Favored Glycine 0 C--N 1.349 1.258 0 CA-C-N 115.338 -0.847 . . . . 0.0 112.758 174.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.5 m -78.58 -29.37 46.15 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.46 0.704 . . . . 0.0 109.747 176.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.497 ' O ' ' HG ' ' A' ' 13' ' ' LEU . . . -68.44 -48.16 65.31 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 173.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -53.45 -41.47 66.16 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 124.725 1.265 . . . . 0.0 110.518 172.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -64.29 -41.57 96.81 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.657 0.783 . . . . 0.0 110.599 177.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.16 -34.9 89.58 Favored Glycine 0 C--N 1.342 0.89 0 O-C-N 123.415 0.447 . . . . 0.0 113.043 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 9' ' ' ALA . 36.9 mt -76.12 -27.62 57.14 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.635 0.774 . . . . 0.0 109.909 177.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.1 tp -78.37 -26.36 46.6 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.204 1.002 . . . . 0.0 111.24 173.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -91.73 -63.21 1.28 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.567 0.747 . . . . 0.0 111.083 -174.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -90.83 -43.31 10.13 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.149 0.98 . . . . 0.0 110.68 -177.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.48 -170.29 13.32 Favored Glycine 0 C--O 1.243 0.658 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.746 -168.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.468 ' HG2' HD23 ' A' ' 13' ' ' LEU . 63.7 mtm180 -86.44 53.62 2.87 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.181 0.593 . . . . 0.0 112.093 -177.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.437 ' O ' HG12 ' A' ' 23' ' ' ILE . 19.4 t-20 -86.14 92.13 8.65 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 169.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 43.2 m95 -53.13 -46.13 68.65 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.833 1.253 . . . . 0.0 112.758 -165.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.8 t -67.22 -38.51 85.4 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.266 0.627 . . . . 0.0 111.757 -177.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.76 -41.16 79.25 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 122.723 0.409 . . . . 0.0 111.028 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 19' ' ' ASN . 29.7 mm -74.46 -32.52 30.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.168 -178.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.31 -25.65 61.65 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 122.829 0.451 . . . . 0.0 110.747 175.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -81.97 -29.03 32.36 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.15 0.58 . . . . 0.0 110.149 173.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.1 ttt -72.38 -62.36 1.47 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.207 0.603 . . . . 0.0 110.554 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.424 HG21 ' O ' ' A' ' 23' ' ' ILE . 12.2 m -89.85 -41.34 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.316 0.646 . . . . 0.0 112.286 -174.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.18 -25.89 50.21 Favored Glycine 0 C--N 1.345 1.067 0 CA-C-N 116.033 -0.531 . . . . 0.0 113.092 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.9 t 58.42 31.39 20.9 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.567 1.147 . . . . 0.0 110.613 -175.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.498 ' HG3' ' H ' ' A' ' 31' ' ' THR . 9.2 tppt? -148.8 -165.02 2.16 Favored 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 123.549 0.74 . . . . 0.0 109.457 -169.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.498 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 10.2 t -72.11 165.2 24.8 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.65 0.78 . . . . 0.0 112.513 -176.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.1 p -46.48 -35.55 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 C-N-CA 125.963 1.705 . . . . 0.0 113.976 -177.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.4 t -50.75 -36.93 39.11 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.752 1.221 . . . . 0.0 112.865 -172.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -65.3 -45.88 82.63 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.97 0.508 . . . . 0.0 112.171 -173.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 44.7 t -80.73 -37.9 29.73 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.316 0.247 . . . . 0.0 111.143 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -73.69 -49.23 26.8 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.699 0.4 . . . . 0.0 111.029 -171.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -68.16 -32.71 73.16 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 119.17 -0.443 . . . . 0.0 110.964 177.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -56.67 -42.45 79.03 Favored 'General case' 0 N--CA 1.483 1.223 0 O-C-N 123.229 0.331 . . . . 0.0 110.86 171.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -77.95 -38.31 45.55 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.555 -174.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 . . . . . 0 N--CA 1.482 1.16 0 C-N-CA 123.293 0.637 . . . . 0.0 110.886 -179.113 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.524 ' HA ' HD12 ' A' ' 51' ' ' ILE . 2.9 tm? . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 119.967 -0.064 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -54.06 -41.08 67.75 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.192 0.597 . . . . 0.0 111.259 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 34.2 tt0 -67.01 -49.08 66.44 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.538 175.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 48' ' ' LEU . 77.7 mt -56.63 -39.86 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 C-N-CA 124.778 1.231 . . . . 0.0 111.439 -176.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -69.91 -41.29 74.87 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.423 -178.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -63.1 -36.15 82.63 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.393 175.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 85.0 mm-40 -63.52 -46.5 85.75 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 123.398 0.437 . . . . 0.0 109.835 -179.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -52.13 -42.53 63.39 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.755 0.822 . . . . 0.0 111.227 174.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -66.57 -52.31 46.88 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.706 0.803 . . . . 0.0 111.851 -178.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 pp -72.85 -27.06 61.7 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -172.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.407 ' HE2' ' HB3' ' A' ' 54' ' ' GLN . 65.9 mttm -65.72 -48.42 72.0 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 174.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 48.7 ttm -66.41 -36.04 81.83 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 124.296 0.998 . . . . 0.0 111.245 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -67.39 -48.11 68.33 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.018 0.927 . . . . 0.0 111.431 -178.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 pttm -65.11 -39.58 93.32 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.478 0.711 . . . . 0.0 110.556 -174.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -81.02 -28.92 35.25 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.268 0.627 . . . . 0.0 110.706 -173.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.0 ttm105 -66.45 -49.55 66.3 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 123.745 0.653 . . . . 0.0 109.713 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 . . . . . 0 N--CA 1.471 0.576 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.853 178.592 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 98.6 m95 . . . . . 0 N--CA 1.478 0.948 0 CA-C-O 120.786 0.327 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 48.0 m -92.79 165.1 13.09 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.227 1.011 . . . . 0.0 108.676 169.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.499 ' HA ' ' HB3' ' A' ' 6' ' ' MET . 40.3 tt0 -51.27 -25.29 5.48 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 124.713 1.205 . . . . 0.0 113.329 -178.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -63.5 -56.53 15.34 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.031 0.932 . . . . 0.0 111.176 -178.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -77.94 -29.33 49.9 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.18 0.592 . . . . 0.0 111.085 176.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.499 ' HB3' ' HA ' ' A' ' 3' ' ' GLU . 31.4 tpp -62.93 -33.28 75.02 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 123.99 0.916 . . . . 0.0 110.452 176.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.82 -30.97 50.78 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-N 115.587 -0.733 . . . . 0.0 113.01 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.8 m -74.28 -34.75 63.65 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.348 0.659 . . . . 0.0 109.927 174.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.78 -37.2 76.26 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.346 0.658 . . . . 0.0 110.108 174.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.488 ' HG2' HD13 ' A' ' 51' ' ' ILE . 1.4 tmtp? -58.96 -47.86 83.6 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.545 1.138 . . . . 0.0 109.622 172.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -64.2 -36.23 83.38 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 124.33 1.019 . . . . 0.0 110.498 -178.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.6 -46.33 90.39 Favored Glycine 0 C--N 1.345 1.058 0 O-C-N 123.748 0.655 . . . . 0.0 112.262 175.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.5 mt -70.64 -24.17 62.67 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 123.737 0.815 . . . . 0.0 110.89 179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.0 tp -77.03 -37.71 54.31 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.74 0.816 . . . . 0.0 111.219 175.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -89.35 -63.61 1.26 Allowed 'General case' 0 N--CA 1.478 0.969 0 CA-C-O 121.215 0.531 . . . . 0.0 110.663 -176.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -73.38 -38.55 65.63 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.796 -176.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.54 -162.79 16.58 Favored Glycine 0 C--N 1.338 0.67 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.173 -172.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -79.26 36.77 0.3 Allowed 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.69 0.796 . . . . 0.0 112.083 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.425 ' O ' HG12 ' A' ' 23' ' ' ILE . 71.4 m-20 -77.95 79.27 4.42 Favored 'General case' 0 C--N 1.346 0.452 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 172.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.488 ' HE3' ' SG ' ' A' ' 35' ' ' CYS . 72.6 m95 -56.15 -36.15 67.96 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.17 0.988 . . . . 0.0 112.28 -168.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.0 p -62.71 -43.1 99.67 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.417 0.687 . . . . 0.0 111.105 175.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.3 -35.82 71.42 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.097 0.559 . . . . 0.0 111.456 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.431 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 22.2 mm -74.33 -39.02 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.33 -28.53 68.74 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.973 175.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -31.82 53.32 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.343 0.657 . . . . 0.0 110.457 176.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.4 ttt -77.25 -62.63 1.59 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.651 0.78 . . . . 0.0 111.403 -175.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 23' ' ' ILE . 22.1 m -88.06 -37.97 11.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 122.96 0.504 . . . . 0.0 111.651 -173.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.77 -41.85 8.61 Favored Glycine 0 C--N 1.345 1.036 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.802 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.1 t 59.43 26.61 15.57 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.66 1.184 . . . . 0.0 110.013 -165.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -127.4 -175.41 3.44 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.213 1.405 . . . . 0.0 110.239 -174.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 56.9 m -61.92 155.37 23.7 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.082 0.953 . . . . 0.0 111.66 -179.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.2 p -48.48 -33.56 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 C-N-CA 124.566 1.146 . . . . 0.0 112.616 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.3 m -49.15 -35.84 17.71 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.304 1.442 . . . . 0.0 112.59 177.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -59.7 -52.13 66.83 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.882 0.873 . . . . 0.0 111.069 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.488 ' SG ' ' HE3' ' A' ' 20' ' ' TRP . 41.5 t -75.12 -25.99 58.86 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 122.675 0.39 . . . . 0.0 111.402 -179.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -65.81 -61.07 2.27 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 122.649 0.38 . . . . 0.0 111.359 178.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -66.83 -28.69 68.56 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.702 0.401 . . . . 0.0 110.644 -176.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -48.53 -43.61 35.52 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.574 1.15 . . . . 0.0 111.155 170.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -70.92 -23.71 62.31 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.884 -173.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 . . . . . 0 N--CA 1.475 0.785 0 C-N-CA 123.342 0.657 . . . . 0.0 110.065 175.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 tm? . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -64.0 -43.12 96.64 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.418 176.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -72.13 -31.72 66.26 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.304 0.242 . . . . 0.0 110.446 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.488 HD13 ' HG2' ' A' ' 10' ' ' LYS . 86.0 mt -62.72 -45.92 97.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.764 0.826 . . . . 0.0 110.471 177.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -77.96 -25.82 48.44 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.642 178.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -65.25 -53.64 41.31 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.451 0.7 . . . . 0.0 109.692 177.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -67.42 -42.66 82.86 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.005 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -61.62 -31.38 71.46 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.337 0.398 . . . . 0.0 111.519 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.542 ' HZ1' ' HB2' ' A' ' 56' ' ' LYS . 4.0 ttmp? -72.56 -54.54 8.89 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.814 0.446 . . . . 0.0 111.066 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 pp -69.74 -26.81 64.5 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.221 0.326 . . . . 0.0 111.185 -177.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.501 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 54.9 mtpt -73.86 -40.53 63.19 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.907 0.483 . . . . 0.0 110.331 173.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 50.6 tpp -60.77 -34.38 74.38 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 123.608 0.568 . . . . 0.0 109.706 175.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -70.67 -48.74 53.31 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.604 175.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.501 ' HG2' ' HA ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.63 -34.4 75.69 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 117.865 0.302 . . . . 0.0 111.164 -173.293 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.9 -39.71 49.98 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.606 0.362 . . . . 0.0 110.72 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -69.33 -36.17 76.68 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.446 0.699 . . . . 0.0 110.481 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.3 t30 . . . . . 0 N--CA 1.474 0.767 0 C-N-CA 123.591 0.757 . . . . 0.0 109.842 177.14 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 69.4 m95 . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m -105.67 168.03 9.37 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 172.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.508 ' HA ' ' HB3' ' A' ' 6' ' ' MET . 33.3 mt-10 -65.12 -18.76 65.58 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -168.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -73.26 -54.8 7.52 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.594 0.758 . . . . 0.0 110.526 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.94 -30.23 68.64 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.422 0.689 . . . . 0.0 110.508 176.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.619 ' HG3' ' HZ ' ' A' ' 38' ' ' PHE . 35.8 ttm -63.93 -34.36 77.78 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.509 1.124 . . . . 0.0 110.901 173.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.08 -41.29 71.04 Favored Glycine 0 C--N 1.35 1.328 0 O-C-N 123.667 0.604 . . . . 0.0 112.446 176.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 m -65.99 -38.29 88.12 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.476 0.71 . . . . 0.0 110.353 177.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.9 -49.19 71.44 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.612 0.765 . . . . 0.0 109.92 177.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -51.25 -41.76 60.57 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.818 1.247 . . . . 0.0 111.317 175.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -62.22 -46.27 89.6 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.26 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.6 -30.3 77.53 Favored Glycine 0 C--N 1.343 0.954 0 O-C-N 123.207 0.317 . . . . 0.0 113.292 177.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.574 HD13 HD11 ' A' ' 48' ' ' LEU . 28.4 mt -79.09 -24.57 43.38 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 124.264 1.026 . . . . 0.0 110.456 178.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 tt -79.51 -31.56 42.22 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.226 1.01 . . . . 0.0 110.21 170.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -84.68 -63.77 1.28 Allowed 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.121 0.968 . . . . 0.0 111.35 -172.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -90.36 -46.67 8.23 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.416 1.086 . . . . 0.0 110.35 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.47 -154.97 16.55 Favored Glycine 0 C--O 1.236 0.277 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.949 -171.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.417 ' HG3' HD11 ' A' ' 52' ' ' LEU . 67.1 mtp180 -78.44 24.48 0.27 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.104 0.962 . . . . 0.0 113.347 -174.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.463 ' O ' HG12 ' A' ' 23' ' ' ILE . 48.7 t-20 -71.43 82.71 0.79 Allowed 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 168.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.418 ' HE3' ' SG ' ' A' ' 35' ' ' CYS . 53.4 m95 -61.0 -26.38 67.55 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.94 0.896 . . . . 0.0 111.352 -172.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.465 ' HA ' HG21 ' A' ' 32' ' ' VAL . 17.5 m -63.43 -48.43 77.8 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.714 0.806 . . . . 0.0 110.57 177.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.74 -36.36 80.42 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.317 0.647 . . . . 0.0 111.183 -178.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.463 HG12 ' O ' ' A' ' 19' ' ' ASN . 9.1 mm -77.54 -44.6 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.932 -174.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.54 -21.13 64.57 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.648 0.779 . . . . 0.0 112.256 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.0 ttm-85 -77.5 -32.68 54.35 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 122.71 0.404 . . . . 0.0 110.427 172.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 62.6 ttp -77.28 -60.38 2.39 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.024 0.53 . . . . 0.0 111.059 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 23' ' ' ILE . 32.0 m -86.11 -41.7 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 123.413 0.685 . . . . 0.0 112.175 -173.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.79 -44.13 7.93 Favored Glycine 0 C--N 1.346 1.102 0 N-CA-C 111.842 -0.503 . . . . 0.0 111.842 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.3 m 60.54 14.77 5.11 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 125.195 1.398 . . . . 0.0 112.186 -171.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -126.7 -86.46 0.6 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.295 0.638 . . . . 0.0 111.324 -171.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.467 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 17.1 m -126.4 142.23 51.61 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.777 0.431 . . . . 0.0 110.716 -165.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.465 HG21 ' HA ' ' A' ' 21' ' ' SER . 62.8 t -67.67 -34.56 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 C-N-CA 123.799 0.84 . . . . 0.0 111.446 -178.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.8 t -57.77 -34.5 69.64 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.47 1.108 . . . . 0.0 113.099 -172.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 31' ' ' THR . 9.8 pt20 -71.73 -37.1 70.64 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -174.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.418 ' SG ' ' HE3' ' A' ' 20' ' ' TRP . 37.6 t -76.66 -31.14 57.11 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.22 -45.52 80.41 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.173 175.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -69.33 -35.05 75.54 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.779 0.831 . . . . 0.0 111.069 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.619 ' HZ ' ' HG3' ' A' ' 6' ' ' MET . 49.5 t80 -48.39 -40.96 27.48 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 125.453 1.501 . . . . 0.0 112.519 -175.497 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -55.89 -39.37 71.48 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 113.93 -1.486 . . . . 0.0 112.407 -173.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.4 p90 . . . . . 0 N--CA 1.48 1.054 0 C-N-CA 124.071 0.948 . . . . 0.0 111.572 -175.541 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.574 HD11 HD13 ' A' ' 13' ' ' LEU . 3.0 tm? . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.822 0.344 . . . . 0.0 110.16 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -59.19 -32.33 69.82 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.02 0.928 . . . . 0.0 111.616 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -64.49 -37.04 86.16 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.139 0.576 . . . . 0.0 111.358 176.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.538 HD13 ' HA ' ' A' ' 48' ' ' LEU . 2.1 mp -62.8 -31.65 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 C-N-CA 124.051 0.94 . . . . 0.0 110.12 -179.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.417 HD11 ' HG3' ' A' ' 18' ' ' ARG . 4.6 mm? -73.67 -37.03 65.4 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.455 176.129 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.525 ' HG3' HD22 ' A' ' 57' ' ' LEU . 25.1 tp60 -63.31 -40.68 97.99 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 173.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.721 ' HB3' ' HE2' ' A' ' 58' ' ' LYS . 87.7 mm-40 -63.57 -42.17 98.34 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.701 0.8 . . . . 0.0 110.629 176.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -53.12 -45.57 68.36 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.503 0.721 . . . . 0.0 110.909 174.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -69.19 -61.23 1.88 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.187 0.595 . . . . 0.0 111.262 -178.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.525 HD22 ' HG3' ' A' ' 53' ' ' GLN . 4.1 pp -64.81 -41.64 95.63 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 123.694 0.621 . . . . 0.0 112.193 -164.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.721 ' HE2' ' HB3' ' A' ' 54' ' ' GLN . 63.6 mttm -58.19 -59.96 4.5 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 123.783 0.677 . . . . 0.0 110.352 -174.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 70.5 mtm -70.53 -22.22 62.64 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.801 -174.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -77.13 -50.23 13.47 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.93 0.492 . . . . 0.0 110.855 -178.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -74.31 -37.9 63.49 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 122.999 0.52 . . . . 0.0 111.799 -173.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.03 -28.99 63.72 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.44 0.296 . . . . 0.0 110.417 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.2 ttp85 -71.09 -45.67 63.25 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.138 0.575 . . . . 0.0 109.894 176.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.8 t30 . . . . . 0 N--CA 1.476 0.842 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.575 177.674 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 91.8 m95 . . . . . 0 N--CA 1.479 1.011 0 CA-C-O 120.807 0.337 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.39 146.57 29.27 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 174.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.414 ' HA ' ' HB2' ' A' ' 6' ' ' MET . 45.1 mt-10 -58.81 -19.15 38.59 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -170.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -71.3 -49.24 44.78 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.508 0.723 . . . . 0.0 111.207 175.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -73.61 -29.58 62.46 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.07 0.462 . . . . 0.0 110.219 177.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.414 ' HB2' ' HA ' ' A' ' 3' ' ' GLU . 80.9 mtp -71.72 -23.1 61.57 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.79 0.836 . . . . 0.0 110.594 172.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.95 -31.81 54.69 Favored Glycine 0 C--N 1.347 1.153 0 O-C-N 123.85 0.719 . . . . 0.0 111.787 172.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.6 m -68.02 -38.03 82.1 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.213 0.605 . . . . 0.0 109.774 171.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.37 -47.24 77.07 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.546 174.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -56.04 -43.44 77.84 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.75 1.22 . . . . 0.0 110.88 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -75.59 -29.29 59.23 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.705 -176.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.95 -46.18 68.27 Favored Glycine 0 C--N 1.343 0.964 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 172.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.552 HD23 ' HG2' ' A' ' 18' ' ' ARG . 30.1 mt -67.47 -26.34 66.33 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.427 1.091 . . . . 0.0 110.481 178.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 tt -72.86 -60.25 2.32 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 174.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -71.61 -61.81 1.64 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.014 0.926 . . . . 0.0 111.258 -168.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -81.29 -30.61 33.93 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.102 -175.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.58 -174.06 22.45 Favored Glycine 0 N--CA 1.466 0.641 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.144 -176.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.552 ' HG2' HD23 ' A' ' 13' ' ' LEU . 41.7 mtm180 -83.2 43.48 0.88 Allowed 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 121.19 0.519 . . . . 0.0 112.179 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -82.04 95.8 7.54 Favored 'General case' 0 C--N 1.344 0.366 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 173.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.477 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 55.5 m95 -52.36 -36.97 55.05 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.271 1.428 . . . . 0.0 112.261 -170.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.3 m -60.55 -51.19 70.5 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.504 1.122 . . . . 0.0 110.984 178.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.92 -42.73 89.74 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.681 -176.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.4 HG13 HD22 ' A' ' 13' ' ' LEU . 22.2 mm -77.71 -38.28 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.814 -170.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.466 ' HB3' ' HG ' ' A' ' 35' ' ' CYS . . . -72.33 -20.86 61.41 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.271 175.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -83.08 -26.41 31.11 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 122.391 0.276 . . . . 0.0 110.814 168.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.1 ttt -76.5 -62.02 1.76 Allowed 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.189 0.596 . . . . 0.0 111.469 -176.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.4 m -86.96 -36.74 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 122.85 0.46 . . . . 0.0 111.401 177.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.23 -44.96 7.75 Favored Glycine 0 C--N 1.343 0.932 0 CA-C-N 116.046 -0.525 . . . . 0.0 113.111 -175.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.8 p 50.16 32.32 5.88 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.984 1.314 . . . . 0.0 112.883 -175.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -149.67 -75.34 0.16 Allowed 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -176.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.9 m -124.83 135.33 52.83 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.145 0.578 . . . . 0.0 111.353 -169.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.8 t -67.65 -28.79 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 C-N-CA 124.023 0.929 . . . . 0.0 111.264 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.7 m -59.66 -21.84 61.07 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.791 0.837 . . . . 0.0 112.563 176.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -63.63 -51.98 62.8 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 122.955 0.502 . . . . 0.0 111.594 -176.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.477 ' SG ' ' HB3' ' A' ' 20' ' ' TRP . 29.6 p -65.46 -35.66 81.58 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.095 0.558 . . . . 0.0 110.672 -178.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -58.65 -58.8 6.99 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.039 0.936 . . . . 0.0 111.471 176.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -69.18 -30.2 68.35 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.454 -175.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -69.33 -36.65 77.14 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 122.715 0.406 . . . . 0.0 110.44 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -60.44 -43.93 96.32 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -167.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 . . . . . 0 N--CA 1.483 1.182 0 C-N-CA 123.297 0.639 . . . . 0.0 111.922 -174.598 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.428 HD12 HD21 ' A' ' 52' ' ' LEU . 3.3 tm? . . . . . 0 CA--C 1.553 1.075 0 CA-C-O 120.647 0.261 . . . . 0.0 110.386 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -61.5 -35.7 78.43 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.732 0.813 . . . . 0.0 111.845 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -64.87 -37.63 88.28 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 123.708 0.63 . . . . 0.0 110.344 178.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 48' ' ' LEU . 62.1 mt -65.41 -36.57 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 123.809 0.844 . . . . 0.0 110.61 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.428 HD21 HD12 ' A' ' 48' ' ' LEU . 3.8 mm? -68.18 -43.41 78.21 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.83 173.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -62.5 -42.27 99.39 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.833 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -63.28 -54.59 34.79 Favored 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 123.877 0.871 . . . . 0.0 110.596 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -55.14 -39.72 69.76 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.104 0.562 . . . . 0.0 111.546 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -62.54 -53.93 47.34 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.332 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.01 -28.33 62.3 Favored 'General case' 0 C--O 1.214 -0.791 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.662 -174.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.445 ' HA ' ' HE2' ' A' ' 61' ' ' LYS . 25.6 mtpp -67.92 -55.65 12.0 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.462 0.705 . . . . 0.0 111.18 -176.375 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -28.09 69.15 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.167 0.587 . . . . 0.0 111.954 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -82.24 -46.8 13.22 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.83 0.452 . . . . 0.0 111.647 -178.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.445 ' HE2' ' HA ' ' A' ' 58' ' ' LYS . 63.9 pttt -68.59 -37.7 80.06 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.022 0.529 . . . . 0.0 110.398 -174.173 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -71.22 -36.09 71.73 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -59.84 -45.54 92.1 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 124.276 0.985 . . . . 0.0 109.381 177.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 . . . . . 0 CA--C 1.539 0.554 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.087 178.662 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 96.9 m95 . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.7 m -86.18 166.33 15.83 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 171.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.417 ' HA ' ' HB2' ' A' ' 6' ' ' MET . 52.7 mt-10 -61.16 -20.0 62.21 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -169.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -65.82 -54.54 25.44 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 118.282 0.492 . . . . 0.0 110.57 175.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -75.92 -28.42 58.0 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.518 0.727 . . . . 0.0 110.964 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.417 ' HB2' ' HA ' ' A' ' 3' ' ' GLU . 15.0 mmt -55.19 -47.3 75.44 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 166.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.26 -37.03 86.08 Favored Glycine 0 C--N 1.347 1.165 0 CA-C-N 114.586 -1.188 . . . . 0.0 113.56 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.7 m -71.35 -38.13 71.64 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.181 0.593 . . . . 0.0 110.716 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.65 -35.21 60.48 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.078 0.551 . . . . 0.0 110.468 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -61.37 -42.14 98.22 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.72 0.808 . . . . 0.0 110.389 172.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -68.33 -36.49 79.35 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.069 -0.968 . . . . 0.0 109.872 177.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.99 -42.82 96.61 Favored Glycine 0 C--N 1.344 1.015 0 CA-C-N 116.169 -0.468 . . . . 0.0 112.75 177.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.9 mt -70.4 -25.38 63.21 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.962 0.905 . . . . 0.0 110.326 176.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.3 tp -76.28 -25.19 54.64 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 123.84 0.856 . . . . 0.0 111.766 173.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -106.17 -63.39 1.27 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.829 -0.545 . . . . 0.0 112.166 -177.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -73.42 -28.59 62.07 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.82 0.848 . . . . 0.0 110.896 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.18 -162.5 20.0 Favored Glycine 0 C--N 1.343 0.955 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.699 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.46 ' NE ' ' HG ' ' A' ' 52' ' ' LEU . 11.4 tpp180 -76.14 9.94 2.24 Favored 'General case' 0 CA--C 1.568 1.637 0 C-N-CA 123.992 0.917 . . . . 0.0 111.861 -174.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.472 ' O ' HG12 ' A' ' 23' ' ' ILE . 45.9 m-80 -66.31 94.67 0.27 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.89 0.876 . . . . 0.0 110.55 178.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -60.12 -31.79 70.39 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.804 0.841 . . . . 0.0 112.093 -174.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.2 t -68.23 -40.48 82.02 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.64 0.776 . . . . 0.0 110.873 177.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.9 -39.41 76.24 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.243 0.617 . . . . 0.0 111.069 -177.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.597 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 18.3 mm -74.73 -37.08 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.38 -179.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.3 -32.85 72.7 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.866 0.866 . . . . 0.0 111.646 175.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.3 ttt85 -77.45 -39.19 47.61 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.748 0.819 . . . . 0.0 110.32 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.5 ttt -69.43 -61.39 1.81 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.064 0.546 . . . . 0.0 111.741 -173.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.0 m -88.52 -40.94 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 122.799 0.439 . . . . 0.0 112.117 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.05 -45.53 7.54 Favored Glycine 0 C--N 1.345 1.037 0 O-C-N 123.581 0.551 . . . . 0.0 112.744 -175.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.4 t 56.59 23.14 7.36 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 124.997 1.319 . . . . 0.0 111.54 -172.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -135.42 -77.66 0.44 Allowed 'General case' 0 C--N 1.361 1.073 0 C-N-CA 123.512 0.725 . . . . 0.0 111.485 -173.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.5 m -136.26 143.91 44.52 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.714 0.406 . . . . 0.0 110.92 -163.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.8 t -66.88 -33.39 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 123.676 0.79 . . . . 0.0 110.766 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.2 t -56.41 -38.24 71.26 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.081 0.952 . . . . 0.0 110.983 175.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -59.74 -43.85 94.07 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 124.008 0.923 . . . . 0.0 110.961 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.597 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 42.3 t -75.82 -28.75 58.4 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.222 0.609 . . . . 0.0 111.705 178.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -67.59 -52.8 34.27 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.065 0.546 . . . . 0.0 110.581 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -71.64 -21.19 61.86 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.424 0.689 . . . . 0.0 111.093 -177.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.416 ' HE1' ' HA ' ' A' ' 6' ' ' MET . 21.4 t80 -50.41 -47.46 56.54 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.675 0.79 . . . . 0.0 111.137 171.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -72.93 -31.59 64.72 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.382 -169.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 . . . . . 0 N--CA 1.475 0.823 0 C-N-CA 123.405 0.682 . . . . 0.0 110.637 179.037 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.427 ' HA ' HD12 ' A' ' 51' ' ' ILE . 3.2 tm? . . . . . 0 N--CA 1.474 0.755 0 CA-C-O 119.702 -0.189 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -58.31 -43.85 88.35 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.798 0.439 . . . . 0.0 111.568 -173.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 32.7 tt0 -69.96 -40.63 75.3 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 123.51 0.506 . . . . 0.0 110.224 176.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.427 HD12 ' HA ' ' A' ' 48' ' ' LEU . 96.5 mt -55.76 -33.56 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 C-N-CA 124.262 1.025 . . . . 0.0 111.316 177.367 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.46 ' HG ' ' NE ' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -70.46 -40.73 73.51 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.727 0.811 . . . . 0.0 109.466 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.533 HE21 HD21 ' A' ' 57' ' ' LEU . 49.9 tp60 -64.51 -38.09 89.81 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.075 174.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 10.6 mm-40 -63.48 -46.63 85.29 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -53.62 -42.98 68.31 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.117 0.967 . . . . 0.0 111.365 176.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -62.62 -60.84 2.96 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.337 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.533 HD21 HE21 ' A' ' 53' ' ' GLN . 4.4 pp -68.54 -29.14 67.64 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 123.643 0.589 . . . . 0.0 112.45 -171.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -62.49 -52.26 64.21 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.468 0.707 . . . . 0.0 110.61 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 50.4 ttm -74.84 -31.79 61.75 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.283 -178.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.92 -46.29 75.26 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.353 0.661 . . . . 0.0 111.571 -178.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -72.58 -37.74 68.08 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 122.824 0.45 . . . . 0.0 111.145 -176.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -68.58 -36.71 79.1 Favored 'General case' 0 C--O 1.21 -1.023 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -71.08 -32.44 69.08 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.404 0.681 . . . . 0.0 111.042 177.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.0 t30 . . . . . 0 CA--C 1.548 0.884 0 C-N-CA 122.821 0.448 . . . . 0.0 110.365 176.001 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 84.3 m95 . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.1 m -91.67 157.88 16.7 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.574 0.75 . . . . 0.0 109.343 175.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -49.71 -21.37 1.05 Allowed 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 -173.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -75.66 -54.07 7.55 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.291 0.636 . . . . 0.0 110.954 -177.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -74.06 -29.18 61.76 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.388 0.675 . . . . 0.0 110.249 176.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 51.8 ttm -71.68 -28.88 64.02 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.361 1.064 . . . . 0.0 110.057 175.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.46 -30.16 62.79 Favored Glycine 0 C--N 1.352 1.428 0 O-C-N 123.568 0.543 . . . . 0.0 111.76 172.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.7 m -72.7 -31.72 65.22 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.341 0.656 . . . . 0.0 109.802 173.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.573 ' HA ' HG12 ' A' ' 27' ' ' VAL . . . -74.34 -37.76 63.45 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.73 0.812 . . . . 0.0 110.321 176.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.506 ' HG3' HD12 ' A' ' 51' ' ' ILE . 77.4 tttt -60.3 -54.66 43.08 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.317 1.047 . . . . 0.0 110.018 175.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -68.45 -28.33 66.96 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.642 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.02 -47.08 91.64 Favored Glycine 0 C--N 1.343 0.927 0 N-CA-C 112.148 -0.381 . . . . 0.0 112.148 175.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.534 HD23 ' HG2' ' A' ' 18' ' ' ARG . 90.2 mt -68.95 -29.06 67.22 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.684 0.793 . . . . 0.0 110.59 178.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 tt -70.01 -43.5 71.23 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.888 0.875 . . . . 0.0 109.941 174.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -77.94 -54.69 6.02 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.552 0.741 . . . . 0.0 110.773 -170.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -90.57 -8.45 50.18 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 115.091 -0.958 . . . . 0.0 112.11 -171.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 69.66 43.48 67.63 Favored Glycine 0 CA--C 1.537 1.467 0 O-C-N 123.098 0.249 . . . . 0.0 113.336 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.534 ' HG2' HD23 ' A' ' 13' ' ' LEU . 68.5 mtm180 59.85 24.38 13.4 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 124.62 1.168 . . . . 0.0 113.633 178.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.465 ' O ' HG12 ' A' ' 23' ' ' ILE . 35.2 t30 -69.99 92.91 0.75 Allowed 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 169.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -59.71 -26.97 66.05 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.898 0.879 . . . . 0.0 112.668 -166.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.6 m -59.97 -46.72 88.51 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.514 0.725 . . . . 0.0 110.506 174.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.98 -38.3 66.73 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.799 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.465 HG12 ' O ' ' A' ' 19' ' ' ASN . 22.5 mm -70.44 -52.69 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 122.853 0.461 . . . . 0.0 110.096 -174.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.83 -22.05 66.52 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.281 0.632 . . . . 0.0 111.701 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -79.78 -38.6 32.79 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.085 0.554 . . . . 0.0 109.544 174.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.0 ttt -74.96 -62.29 1.59 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.874 0.869 . . . . 0.0 111.266 -175.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.573 HG12 ' HA ' ' A' ' 9' ' ' ALA . 6.2 m -89.72 -35.4 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.018 0.927 . . . . 0.0 112.554 -174.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.82 -40.18 9.77 Favored Glycine 0 C--N 1.345 1.057 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.866 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.1 t 60.79 31.89 20.11 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 124.952 1.301 . . . . 0.0 110.914 -171.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.507 ' HB2' ' HZ3' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -151.9 -177.04 5.9 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.866 0.866 . . . . 0.0 109.515 -174.061 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.415 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 87.7 m -50.3 153.73 1.43 Allowed 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 125.252 1.421 . . . . 0.0 113.031 174.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.3 t -44.81 -39.0 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 125.286 1.434 . . . . 0.0 112.726 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.3 m -49.78 -37.85 31.65 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.848 1.259 . . . . 0.0 113.545 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -56.93 -51.3 69.68 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.382 0.673 . . . . 0.0 111.876 -177.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 48.9 t -83.26 -32.35 26.47 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 122.798 0.439 . . . . 0.0 111.622 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -50.24 70.24 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.631 0.772 . . . . 0.0 109.341 -173.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -60.95 -47.78 84.85 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 123.756 0.66 . . . . 0.0 110.559 176.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -49.3 -39.07 29.66 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 124.425 1.078 . . . . 0.0 111.88 -176.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -53.23 -35.81 60.36 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.688 1.195 . . . . 0.0 112.959 -172.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 46.5 p90 . . . . . 0 N--CA 1.48 1.047 0 C-N-CA 123.693 0.797 . . . . 0.0 111.434 179.843 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.461 ' HA ' HD13 ' A' ' 51' ' ' ILE . 2.9 tm? . . . . . 0 CA--C 1.55 0.965 0 CA-C-O 120.379 0.133 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.11 -46.07 79.24 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.512 0.725 . . . . 0.0 110.815 173.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 31.8 tt0 -70.51 -30.31 67.05 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.827 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.506 HD12 ' HG3' ' A' ' 10' ' ' LYS . 82.9 mt -64.76 -31.51 54.08 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.137 0 C-N-CA 123.705 0.802 . . . . 0.0 110.42 177.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.442 HD21 HD12 ' A' ' 48' ' ' LEU . 4.3 mm? -79.84 -26.63 40.36 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.402 0.681 . . . . 0.0 111.45 174.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.451 ' HG3' HD23 ' A' ' 57' ' ' LEU . 22.6 tp60 -65.82 -35.22 80.07 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 168.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 73.6 mm-40 -67.5 -37.05 82.24 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.012 0.525 . . . . 0.0 110.387 176.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -57.3 -36.68 71.39 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.59 0.756 . . . . 0.0 111.218 174.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -71.46 -62.26 1.47 Allowed 'General case' 0 C--O 1.242 0.658 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.311 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.451 HD23 ' HG3' ' A' ' 53' ' ' GLN . 3.7 pp -74.31 -41.57 60.93 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.941 -161.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.496 ' HZ2' ' HB3' ' A' ' 58' ' ' LYS . 7.9 mtpm? -63.17 -24.22 67.79 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 123.216 0.606 . . . . 0.0 112.591 -175.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 45.7 ttm -83.01 -48.03 11.07 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.198 0.599 . . . . 0.0 110.592 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -83.17 -22.04 33.36 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.848 0.859 . . . . 0.0 112.705 -172.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -71.07 -50.47 33.48 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.639 0.776 . . . . 0.0 109.941 -176.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -66.55 -33.53 75.87 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.468 174.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -68.09 -39.28 82.93 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.086 0.954 . . . . 0.0 110.519 -177.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 . . . . . 0 N--CA 1.473 0.716 0 C-N-CA 123.31 0.644 . . . . 0.0 109.827 176.034 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 17.4 m95 . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.2 m -67.44 146.58 53.86 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.295 0.638 . . . . 0.0 109.693 175.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.452 ' HA ' ' HB2' ' A' ' 6' ' ' MET . 46.4 mt-10 -54.96 -20.2 8.49 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -175.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -67.25 -54.06 24.35 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.619 0.768 . . . . 0.0 110.766 175.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -73.73 -27.49 61.21 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.315 0.646 . . . . 0.0 110.944 178.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.452 ' HB2' ' HA ' ' A' ' 3' ' ' GLU . 0.6 OUTLIER -64.87 -33.77 76.81 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.268 0.627 . . . . 0.0 109.968 170.072 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.4 -30.33 62.64 Favored Glycine 0 C--N 1.352 1.424 0 O-C-N 123.631 0.582 . . . . 0.0 112.364 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.5 m -76.76 -30.44 56.55 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.555 0.742 . . . . 0.0 109.98 174.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.05 -30.84 50.0 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.675 0.79 . . . . 0.0 110.233 175.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HZ3' HD13 ' A' ' 14' ' ' LEU . 5.5 tmtm? -67.19 -45.96 75.36 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 173.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -62.32 -42.62 99.53 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.112 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.9 -55.74 22.72 Favored Glycine 0 C--N 1.343 0.963 0 O-C-N 123.535 0.522 . . . . 0.0 112.6 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.5 mt -64.86 -24.15 67.45 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.861 0.864 . . . . 0.0 111.86 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.41 HD13 ' HZ3' ' A' ' 10' ' ' LYS . 3.9 tt -73.89 -59.15 2.85 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 172.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -69.44 -60.88 2.04 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.702 0.801 . . . . 0.0 112.2 -170.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -80.11 -12.82 59.63 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.596 0.758 . . . . 0.0 111.406 -176.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.36 -149.15 33.45 Favored Glycine 0 C--N 1.343 0.964 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 -175.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -94.64 22.17 6.56 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.157 0.583 . . . . 0.0 111.304 -176.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.467 ' O ' HG12 ' A' ' 23' ' ' ILE . 28.3 t-20 -72.9 95.38 1.95 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 175.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -57.78 -27.86 63.45 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.956 0.902 . . . . 0.0 112.229 -171.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.477 ' HA ' HG23 ' A' ' 32' ' ' VAL . 19.2 m -64.53 -49.17 72.3 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.594 0.757 . . . . 0.0 111.03 177.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.06 -41.86 85.72 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.944 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.467 HG12 ' O ' ' A' ' 19' ' ' ASN . 18.7 mm -67.72 -49.22 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.646 -177.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 31' ' ' THR . . . -68.67 -19.42 64.39 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.526 0.731 . . . . 0.0 112.53 -178.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -83.22 -31.93 26.77 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 122.91 0.484 . . . . 0.0 110.724 171.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.0 ttt -77.95 -62.35 1.7 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.678 0.791 . . . . 0.0 111.426 -177.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 23' ' ' ILE . 25.6 m -87.67 -40.27 13.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 C-N-CA 123.887 0.875 . . . . 0.0 112.1 -177.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.33 -39.26 12.86 Favored Glycine 0 C--N 1.352 1.462 0 CA-C-N 116.336 -0.393 . . . . 0.0 112.585 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.3 t 62.83 27.0 15.86 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 125.62 1.568 . . . . 0.0 112.778 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.594 ' HB2' ' HZ1' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -149.9 -74.28 0.17 Allowed 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -177.183 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 97.6 m -129.31 137.94 51.31 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.486 0.714 . . . . 0.0 111.57 -165.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.477 HG23 ' HA ' ' A' ' 21' ' ' SER . 51.6 t -60.78 -36.07 68.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 C-N-CA 124.332 1.053 . . . . 0.0 111.404 -177.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 63.0 m -60.61 -23.93 65.1 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.992 0.917 . . . . 0.0 112.53 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -61.12 -53.1 61.25 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 118.189 0.449 . . . . 0.0 110.611 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.8 t -72.16 -27.74 62.78 Favored 'General case' 0 N--CA 1.484 1.247 0 O-C-N 123.659 0.6 . . . . 0.0 111.267 -177.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.75 -51.01 54.16 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -72.99 -34.98 66.77 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.596 0.758 . . . . 0.0 110.404 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -51.16 -37.78 48.33 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 124.969 1.308 . . . . 0.0 111.04 170.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -72.2 -17.19 61.94 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.809 -175.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -92.71 -28.71 16.46 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.52 0.728 . . . . 0.0 111.329 176.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -75.49 -51.92 11.87 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -94.06 35.76 1.15 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.583 1.153 . . . . 0.0 110.223 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -68.89 90.03 0.42 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.309 1.044 . . . . 0.0 110.117 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -139.47 89.22 2.31 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.592 ' H ' ' HD3' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -87.04 51.42 2.24 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-O 122.601 1.191 . . . . 0.0 110.392 -177.187 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -120.32 -66.1 1.09 Allowed 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 175.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -71.17 -55.93 7.14 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.948 -1.023 . . . . 0.0 110.168 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.5 -33.82 74.8 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.346 0.658 . . . . 0.0 111.248 -174.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.42 -43.33 96.86 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.316 0.646 . . . . 0.0 110.469 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -69.88 -37.17 75.96 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.825 -1.079 . . . . 0.0 110.947 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 86.0 mt -57.14 -43.88 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 C-N-CA 123.227 0.611 . . . . 0.0 110.563 177.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.41 -36.66 60.78 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.016 -178.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -68.93 -41.81 77.59 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 123.311 0.382 . . . . 0.0 110.249 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.408 ' HB3' ' HE3' ' A' ' 58' ' ' LYS . 84.3 mm-40 -65.29 -42.95 92.59 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.315 175.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -55.47 -39.23 70.12 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.093 0.557 . . . . 0.0 110.846 174.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -64.38 -61.96 1.9 Allowed 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.375 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 pp -71.44 -34.89 70.69 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -167.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.456 ' HA ' ' HE2' ' A' ' 61' ' ' LYS . 95.1 mttt -62.83 -51.75 65.83 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 123.143 0.577 . . . . 0.0 110.939 -177.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 48.8 tpp -69.46 -41.6 76.01 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.527 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -65.07 -44.76 87.87 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.785 0.834 . . . . 0.0 111.795 -172.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.456 ' HE2' ' HA ' ' A' ' 58' ' ' LYS . 63.3 pttt -65.51 -45.08 84.94 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 123.689 0.618 . . . . 0.0 111.014 -174.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -77.04 -27.57 54.51 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.991 0.516 . . . . 0.0 110.457 -176.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.405 ' O ' ' HG2' ' A' ' 67' ' ' ARG . 49.9 ttp180 -66.32 -37.57 85.68 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.846 0.858 . . . . 0.0 110.04 177.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.15 -40.94 43.72 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.289 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.418 ' O ' ' HD2' ' A' ' 68' ' ' LYS . . . -68.99 -22.37 64.09 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.829 0.852 . . . . 0.0 112.24 -177.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -89.2 -12.77 39.94 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.406 0.282 . . . . 0.0 110.935 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 63' ' ' ARG . 17.5 mmm180 -99.49 38.93 1.35 Allowed 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 121.756 0.788 . . . . 0.0 110.614 175.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.418 ' HD2' ' O ' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -74.99 5.25 5.38 Favored 'General case' 0 CA--C 1.558 1.262 0 CA-C-N 114.475 -1.239 . . . . 0.0 111.124 168.458 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -72.37 70.52 0.87 Allowed 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 124.581 1.152 . . . . 0.0 110.039 171.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -167.71 122.62 1.01 Allowed 'General case' 0 C--O 1.242 0.659 0 C-N-CA 125.045 1.338 . . . . 0.0 107.561 -175.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HB3' ' HZ1' ' A' ' 71' ' ' LYS . 1.7 ttpm? . . . . . 0 C--O 1.251 1.136 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 177.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 76.0 m95 . . . . . 0 N--CA 1.472 0.656 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.6 m -74.8 155.43 37.6 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.197 0.999 . . . . 0.0 109.891 173.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -53.9 -22.81 10.83 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -178.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -72.86 -55.76 6.19 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 122.708 0.403 . . . . 0.0 110.33 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -71.78 -30.08 65.17 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.197 0.599 . . . . 0.0 110.961 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 28.3 ttm -71.98 -39.97 68.93 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.57 0.748 . . . . 0.0 110.037 177.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.08 -31.24 69.4 Favored Glycine 0 C--N 1.346 1.127 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.738 176.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.0 m -75.55 -32.21 60.34 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.759 0.824 . . . . 0.0 110.268 175.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.25 -50.68 59.63 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.552 0.741 . . . . 0.0 109.369 175.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -56.53 -45.03 81.34 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.122 1.369 . . . . 0.0 110.422 176.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -62.4 -39.75 94.28 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.87 0.868 . . . . 0.0 110.191 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.0 -36.83 86.89 Favored Glycine 0 C--N 1.344 0.991 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.869 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.472 HD12 HD12 ' A' ' 48' ' ' LEU . 18.6 mt -72.36 -34.47 68.02 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.916 0.886 . . . . 0.0 110.169 177.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.1 tp -74.86 -23.45 58.41 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.344 1.058 . . . . 0.0 110.826 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -106.94 -63.78 1.25 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.07 0.548 . . . . 0.0 111.305 -174.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -74.59 -48.75 24.78 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.702 0.801 . . . . 0.0 110.323 -176.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.4 -161.89 21.46 Favored Glycine 0 C--N 1.343 0.945 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.321 -177.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -84.59 9.15 14.44 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.753 1.221 . . . . 0.0 111.525 -172.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.44 ' O ' HG12 ' A' ' 23' ' ' ILE . 86.1 m-20 -66.74 94.43 0.3 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.929 0.892 . . . . 0.0 109.519 177.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.493 ' HE3' ' SG ' ' A' ' 35' ' ' CYS . 50.5 m95 -61.17 -21.75 64.09 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.615 0.766 . . . . 0.0 111.876 -174.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.5 t -71.31 -43.3 67.34 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.926 0.89 . . . . 0.0 110.281 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.23 -41.7 94.14 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.39 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.594 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 18.1 mm -71.82 -40.59 69.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.05 -177.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.29 -38.47 91.29 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.383 0.673 . . . . 0.0 111.352 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.455 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 63.9 ttt180 -77.4 -30.9 53.78 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.622 176.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.0 ttt -66.9 -58.1 5.66 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.95 0.5 . . . . 0.0 111.003 -177.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 23' ' ' ILE . 35.0 m -87.5 -48.71 15.15 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -177.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.25 -37.92 11.78 Favored Glycine 0 C--N 1.343 0.941 0 O-C-N 123.441 0.463 . . . . 0.0 113.355 -176.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.455 ' HA ' ' HA ' ' A' ' 25' ' ' ARG . 10.3 t 60.4 30.45 19.81 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.052 1.341 . . . . 0.0 109.861 -164.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.469 ' HG2' ' H ' ' A' ' 31' ' ' THR . 38.2 ttmt -130.69 176.51 8.13 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.315 1.046 . . . . 0.0 109.492 -172.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.469 ' H ' ' HG2' ' A' ' 30' ' ' LYS . 18.2 m -49.07 151.31 1.34 Allowed 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 125.364 1.466 . . . . 0.0 113.297 178.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.1 t -51.0 -29.49 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 C-N-CA 124.909 1.284 . . . . 0.0 112.222 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.7 m -47.64 -40.68 20.3 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.21 1.404 . . . . 0.0 112.859 178.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -65.39 -44.33 87.87 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 122.571 0.348 . . . . 0.0 111.8 -175.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.594 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 53.8 t -79.13 -36.0 41.23 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.757 0.423 . . . . 0.0 111.508 -177.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -60.45 -51.7 68.35 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.091 0.556 . . . . 0.0 109.607 174.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -40.41 89.36 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.516 178.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -47.0 -38.33 10.61 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 124.258 1.023 . . . . 0.0 111.977 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -55.96 -47.01 78.41 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 124.773 1.296 . . . . 0.0 110.813 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -111.12 7.78 21.49 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.673 0.789 . . . . 0.0 112.519 -177.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -98.09 -65.85 0.94 Allowed 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.056 0.542 . . . . 0.0 110.955 -175.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -73.68 -76.73 0.12 Allowed 'General case' 0 C--N 1.354 0.778 0 O-C-N 123.554 0.534 . . . . 0.0 110.455 -172.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -177.17 170.75 2.15 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.799 0.84 . . . . 0.0 109.167 -173.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp 68.68 28.85 5.54 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 125.124 1.37 . . . . 0.0 111.888 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -60.94 136.76 58.18 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.2 173.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 77.59 -41.05 0.34 Allowed 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 125.905 1.682 . . . . 0.0 111.657 -177.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -68.49 -27.68 66.35 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.511 0.724 . . . . 0.0 111.003 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.472 HD12 HD12 ' A' ' 13' ' ' LEU . 3.0 tm? -62.62 -23.05 66.86 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.932 0.893 . . . . 0.0 110.899 178.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -55.69 -34.1 64.74 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.358 0.663 . . . . 0.0 111.451 175.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -60.82 -33.7 73.42 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.383 0.673 . . . . 0.0 112.197 -175.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.1 mp -64.28 -39.31 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.41 -28.38 41.8 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.987 0.915 . . . . 0.0 111.568 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -71.11 -43.97 66.6 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.947 0.899 . . . . 0.0 109.469 -176.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -69.65 -41.24 75.81 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.898 0.879 . . . . 0.0 109.903 175.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -57.74 -31.83 66.84 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.622 0.769 . . . . 0.0 111.085 175.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -78.94 -61.84 1.89 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.637 0.775 . . . . 0.0 111.24 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 pp -66.92 -35.95 81.14 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.16 0.584 . . . . 0.0 112.276 -167.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -67.68 -39.72 84.47 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.187 0.595 . . . . 0.0 111.004 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 46.5 tpp -68.57 -41.16 80.1 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.974 -176.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -74.62 -38.42 62.57 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.486 0.715 . . . . 0.0 112.153 -175.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -70.53 -40.69 73.29 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 111.399 0.148 . . . . 0.0 111.399 -175.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -71.33 -32.11 68.19 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.502 0.321 . . . . 0.0 110.152 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -59.4 -48.36 81.92 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.211 1.004 . . . . 0.0 110.342 -177.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -57.66 -48.39 79.63 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 123.687 0.617 . . . . 0.0 110.391 176.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.75 -38.15 90.04 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.157 -0.929 . . . . 0.0 112.369 -175.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -87.75 -8.04 56.55 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.26 0.624 . . . . 0.0 111.744 -176.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -97.5 -19.77 18.17 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.069 0.548 . . . . 0.0 110.821 172.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -90.21 141.73 28.42 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 122.994 0.518 . . . . 0.0 109.943 173.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -156.46 118.48 3.95 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 124.205 1.002 . . . . 0.0 108.461 175.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -148.75 177.3 9.64 Favored 'General case' 0 C--O 1.243 0.721 0 C-N-CA 123.862 0.865 . . . . 0.0 109.657 -177.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.255 1.355 0 C-N-CA 123.172 0.589 . . . . 0.0 110.963 172.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 49.1 m95 . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.587 0.232 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.4 m -73.31 150.15 42.11 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.734 0.814 . . . . 0.0 109.894 174.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -57.4 -21.87 39.15 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.561 0.745 . . . . 0.0 112.52 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -70.07 -53.29 18.1 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.722 0.809 . . . . 0.0 111.054 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -69.79 -28.85 66.08 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.056 0.542 . . . . 0.0 110.819 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 89.3 mtp -73.51 -22.9 59.99 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.221 0.608 . . . . 0.0 111.139 174.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.6 -37.12 62.06 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 168.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.5 m -70.13 -32.58 70.65 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.61 0.764 . . . . 0.0 110.621 173.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.427 ' HA ' HG11 ' A' ' 27' ' ' VAL . . . -71.21 -45.54 63.15 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.409 0.684 . . . . 0.0 109.741 177.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.49 ' HZ1' HD13 ' A' ' 14' ' ' LEU . 4.8 tmtm? -55.91 -42.82 76.64 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.052 174.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.85 -44.61 80.58 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.182 0.993 . . . . 0.0 111.214 178.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.84 -44.45 91.99 Favored Glycine 0 C--N 1.342 0.888 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.489 -177.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.7 mt -71.73 -22.86 61.56 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.363 1.065 . . . . 0.0 110.54 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.49 HD13 ' HZ1' ' A' ' 10' ' ' LYS . 4.2 tt -75.7 -32.03 59.93 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.928 0.891 . . . . 0.0 110.822 171.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -97.14 -63.3 1.15 Allowed 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 120.869 0.366 . . . . 0.0 111.979 -174.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -78.35 -24.51 46.44 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.742 0.817 . . . . 0.0 111.061 -178.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.4 -162.31 31.9 Favored Glycine 0 C--N 1.344 0.991 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.879 -173.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 -80.55 22.67 0.56 Allowed 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 117.891 0.846 . . . . 0.0 112.094 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.441 ' O ' HG12 ' A' ' 23' ' ' ILE . 42.2 t30 -69.63 92.38 0.65 Allowed 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 175.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 35.8 m95 -60.61 -24.24 65.34 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.762 0.825 . . . . 0.0 112.318 -171.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.485 ' HA ' HG22 ' A' ' 32' ' ' VAL . 23.6 t -61.26 -53.98 49.94 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 123.545 0.528 . . . . 0.0 109.813 173.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.47 -41.34 89.16 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.264 0.626 . . . . 0.0 112.032 -176.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.441 HG12 ' O ' ' A' ' 19' ' ' ASN . 23.1 mm -74.68 -37.18 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.608 -173.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.45 -20.62 62.07 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 21' ' ' SER . 75.2 mtp180 -78.48 -37.51 43.19 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 169.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.2 ttt -76.84 -63.85 1.26 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.434 0.694 . . . . 0.0 111.949 -173.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.427 HG11 ' HA ' ' A' ' 9' ' ' ALA . 18.8 m -87.25 -39.44 13.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 123.258 0.623 . . . . 0.0 111.445 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.94 -41.31 33.22 Favored Glycine 0 C--N 1.348 1.248 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.67 -174.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.0 t 60.09 26.6 15.97 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.426 1.09 . . . . 0.0 111.415 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.492 ' HD2' HE21 ' A' ' 34' ' ' GLN . 24.8 ttmm -143.38 -91.27 0.12 Allowed 'General case' 0 CA--C 1.555 1.164 0 O-C-N 122.192 -0.317 . . . . 0.0 111.486 -171.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 84.9 m -138.69 149.66 45.35 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.521 0.728 . . . . 0.0 110.35 -168.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.485 HG22 ' HA ' ' A' ' 21' ' ' SER . 53.7 t -52.08 -36.41 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 C-N-CA 124.622 1.169 . . . . 0.0 111.863 -177.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.6 t -61.46 -27.54 68.64 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.318 1.047 . . . . 0.0 112.654 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.492 HE21 ' HD2' ' A' ' 30' ' ' LYS . 5.9 tp-100 -62.14 -50.31 72.4 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.535 0.734 . . . . 0.0 111.379 -175.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.2 t -82.14 -26.42 33.52 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.367 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.05 -56.72 17.72 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 175.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -63.47 -29.63 70.88 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.176 0.991 . . . . 0.0 111.715 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -57.19 -39.02 74.52 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.453 0.701 . . . . 0.0 110.992 174.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -68.27 -17.95 64.41 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 121.074 0.464 . . . . 0.0 111.216 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -113.71 16.15 18.62 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.994 0.918 . . . . 0.0 110.567 177.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -128.62 -24.62 2.99 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.085 0.554 . . . . 0.0 111.235 -176.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.9 p90 -73.66 163.84 27.45 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 174.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.29 132.06 43.0 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 122.924 0.49 . . . . 0.0 110.987 -177.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -66.67 86.7 0.12 Allowed 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -158.5 106.99 1.94 Allowed 'General case' 0 C--O 1.24 0.604 0 N-CA-C 105.708 -1.96 . . . . 0.0 105.708 -172.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -65.32 114.08 4.51 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -138.03 -49.67 0.57 Allowed 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.452 ' HA ' HD11 ' A' ' 51' ' ' ILE . 2.4 tm? -62.81 -25.55 68.3 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 114.56 -1.2 . . . . 0.0 111.485 -177.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -59.17 -36.9 76.12 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 123.943 0.897 . . . . 0.0 111.575 175.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -71.67 -35.63 70.38 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.044 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.452 HD11 ' HA ' ' A' ' 48' ' ' LEU . 1.8 mp -59.52 -39.17 78.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 C-N-CA 123.046 0.539 . . . . 0.0 110.129 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.57 -34.33 69.87 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.47 0.708 . . . . 0.0 111.72 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.433 ' HG3' HD22 ' A' ' 57' ' ' LEU . 23.7 tp60 -62.77 -44.1 97.08 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.042 0.537 . . . . 0.0 110.213 174.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -67.29 -38.88 85.76 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.606 0.762 . . . . 0.0 110.648 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -57.09 -39.42 74.98 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.898 0.879 . . . . 0.0 110.918 176.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -75.63 -59.79 2.6 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.331 178.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.449 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 4.3 pp -64.68 -35.74 82.03 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.836 0.454 . . . . 0.0 111.893 -164.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -69.59 -47.13 64.57 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.179 0.592 . . . . 0.0 111.304 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 39.7 tpp -62.24 -48.11 81.43 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.961 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -71.06 -35.66 72.0 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.242 -176.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 57' ' ' LEU . 26.2 ttpp -54.91 -57.8 10.19 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.511 1.124 . . . . 0.0 111.311 -179.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -73.03 -32.96 65.43 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.725 -176.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -71.04 -38.44 72.55 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.84 0.456 . . . . 0.0 111.18 -176.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -72.58 -43.47 63.35 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.35 0.66 . . . . 0.0 109.866 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.76 -31.13 68.91 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.431 -174.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -74.68 -35.11 62.77 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.365 0.266 . . . . 0.0 111.272 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 74.2 mtm180 -71.71 -23.82 61.7 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.968 0.507 . . . . 0.0 110.707 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -65.05 104.16 0.84 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.383 0.673 . . . . 0.0 109.955 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -151.62 82.75 1.29 Allowed 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -160.28 132.82 6.38 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.977 0.911 . . . . 0.0 109.391 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp . . . . . 0 C--O 1.255 1.356 0 C-N-CA 124.478 1.111 . . . . 0.0 108.556 -176.549 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 92.2 m95 . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.438 HG21 ' H ' ' A' ' 4' ' ' GLU . 99.2 m -66.41 146.09 54.95 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.574 1.15 . . . . 0.0 109.534 170.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.73 -22.97 65.83 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 118.257 0.48 . . . . 0.0 112.095 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.438 ' H ' HG21 ' A' ' 2' ' ' THR . 35.4 mt-10 -66.93 -55.2 15.61 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.019 0.928 . . . . 0.0 111.284 175.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -71.13 -29.39 65.19 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.404 0.682 . . . . 0.0 111.023 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 32.5 ttm -64.22 -37.7 88.41 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.118 1.367 . . . . 0.0 110.14 173.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.96 -32.51 60.75 Favored Glycine 0 C--N 1.346 1.104 0 O-C-N 124.021 0.826 . . . . 0.0 112.635 174.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.6 m -70.38 -33.02 70.91 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.253 0.621 . . . . 0.0 110.199 175.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.71 -35.84 57.59 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.512 0.725 . . . . 0.0 110.376 176.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.435 ' HG2' HD12 ' A' ' 51' ' ' ILE . 1.6 tmtp? -59.8 -49.06 79.17 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.659 173.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -69.19 -36.85 77.75 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.318 1.047 . . . . 0.0 110.668 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.68 -53.72 39.16 Favored Glycine 0 C--N 1.341 0.825 0 O-C-N 123.36 0.413 . . . . 0.0 112.119 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.558 ' HG ' HG23 ' A' ' 23' ' ' ILE . 24.0 mt -61.27 -40.07 92.74 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.89 0.876 . . . . 0.0 110.172 174.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.543 HD13 ' HB2' ' A' ' 55' ' ' HIS . 58.2 tp -61.14 -33.92 74.17 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 123.924 0.89 . . . . 0.0 111.536 177.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -83.89 -56.14 3.85 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 121.213 0.53 . . . . 0.0 111.353 -174.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -90.6 -28.5 18.39 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.726 0.81 . . . . 0.0 112.046 -169.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 111.24 -177.26 19.0 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 -169.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.465 ' NH2' ' HA ' ' A' ' 49' ' ' ASP . 93.6 mtt180 -82.05 56.8 3.27 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-N 117.673 0.737 . . . . 0.0 111.181 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -85.09 96.36 9.41 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.297 1.039 . . . . 0.0 108.692 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -55.36 -47.59 75.53 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.812 0.845 . . . . 0.0 111.993 -172.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.7 t -69.21 -39.54 78.53 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.16 0.584 . . . . 0.0 111.553 -177.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.29 -41.57 56.75 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.913 -171.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.558 HG23 ' HG ' ' A' ' 13' ' ' LEU . 38.2 mm -80.23 -31.57 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 122.964 0.506 . . . . 0.0 110.578 -176.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 31' ' ' THR . . . -71.9 -21.72 61.59 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.033 173.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -81.9 -28.45 32.88 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.687 0.795 . . . . 0.0 110.79 169.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.8 ttt -76.72 -65.4 0.94 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.617 0.367 . . . . 0.0 111.326 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.4 m -88.86 -41.5 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 123.307 0.643 . . . . 0.0 111.639 -174.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.72 -35.14 55.46 Favored Glycine 0 C--N 1.346 1.138 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.816 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.3 t 68.37 3.3 3.68 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.872 1.269 . . . . 0.0 112.948 173.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -122.4 -79.64 0.61 Allowed 'General case' 0 N--CA 1.481 1.115 0 O-C-N 121.782 -0.573 . . . . 0.0 111.603 -171.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.453 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 17.4 m -138.04 165.8 25.69 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.971 0.508 . . . . 0.0 110.242 -172.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.6 t -51.23 -31.72 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 C-N-CA 125.222 1.409 . . . . 0.0 112.673 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.6 p -54.38 -33.93 60.18 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.043 1.337 . . . . 0.0 113.766 -175.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.4 mp0 -59.66 -50.53 73.52 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -175.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.401 ' SG ' HD21 ' A' ' 13' ' ' LEU . 51.5 t -72.58 -28.95 63.11 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.541 0.336 . . . . 0.0 110.672 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -65.0 -53.91 38.75 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.442 0.697 . . . . 0.0 111.483 177.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -71.19 -24.9 62.31 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 122.456 0.302 . . . . 0.0 111.346 -177.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -63.8 -38.4 90.98 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-O 121.147 0.499 . . . . 0.0 110.625 173.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -80.09 -49.92 11.07 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.632 0.773 . . . . 0.0 111.959 -175.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -95.75 -60.62 1.61 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.556 0.742 . . . . 0.0 112.055 -169.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -63.69 -42.71 97.95 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 124.241 1.016 . . . . 0.0 111.548 -175.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -77.74 149.51 34.52 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.589 0.756 . . . . 0.0 110.427 -176.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -63.63 113.42 3.33 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.379 177.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.547 ' H ' ' HD3' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -58.36 80.2 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 124.727 1.211 . . . . 0.0 112.119 179.293 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -122.68 -5.79 8.62 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.016 0.927 . . . . 0.0 110.314 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.8 pm0 -71.16 -25.08 62.39 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.663 0.785 . . . . 0.0 109.948 167.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 58.77 44.93 16.35 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.724 1.21 . . . . 0.0 110.772 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -66.47 -29.9 70.12 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.489 -166.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.465 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 36.3 t70 -63.29 -47.91 80.31 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 123.31 0.381 . . . . 0.0 111.918 -175.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.526 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 12.6 pt-20 -68.89 -33.76 74.3 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 122.797 0.439 . . . . 0.0 111.049 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.435 HD12 ' HG2' ' A' ' 10' ' ' LYS . 86.1 mt -61.64 -45.56 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 124.024 0.93 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.435 HD11 ' O ' ' A' ' 13' ' ' LEU . 3.9 mm? -78.0 -25.27 47.92 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.855 179.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -65.31 -40.18 93.42 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 175.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.526 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 70.0 mm-40 -65.94 -52.07 52.98 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.166 175.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.543 ' HB2' HD13 ' A' ' 14' ' ' LEU . 86.4 t60 -53.41 -40.24 64.95 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 123.507 0.723 . . . . 0.0 111.435 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -60.6 -59.3 5.6 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.605 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 pp -67.11 -30.06 69.97 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 123.503 0.502 . . . . 0.0 111.323 -175.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.428 ' HE2' ' HB3' ' A' ' 54' ' ' GLN . 67.4 mttm -64.73 -58.87 5.08 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.513 0.725 . . . . 0.0 111.205 -178.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.0 tpp -64.71 -39.52 93.78 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 123.407 0.442 . . . . 0.0 111.297 -174.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -67.21 -37.33 83.44 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 119.38 -0.343 . . . . 0.0 111.66 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.459 ' HZ1' ' HB2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -76.59 -41.93 44.45 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 117.928 0.331 . . . . 0.0 111.194 -177.075 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.53 -34.37 72.21 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 123.14 0.275 . . . . 0.0 110.359 -177.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.462 ' O ' ' HG2' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -65.04 -53.69 41.9 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.396 0.678 . . . . 0.0 110.007 173.614 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -55.4 -31.18 61.63 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.466 1.106 . . . . 0.0 111.072 -178.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.57 -48.07 14.43 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.789 0.836 . . . . 0.0 112.33 178.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -75.8 -20.79 57.93 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -170.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' A' ' 63' ' ' ARG . 29.4 mmm180 -74.82 -24.62 58.65 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 120.7 0.286 . . . . 0.0 110.334 176.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -90.2 78.27 6.59 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 173.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -76.41 97.31 4.24 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.115 -176.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -139.24 -9.26 1.29 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.333 1.053 . . . . 0.0 111.285 176.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.2 mttm . . . . . 0 C--O 1.251 1.164 0 C-N-CA 123.654 0.781 . . . . 0.0 109.316 -178.823 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 78.3 m95 . . . . . 0 N--CA 1.471 0.598 0 CA-C-O 121.253 0.549 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.6 m -78.17 160.7 27.85 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.19 0.996 . . . . 0.0 109.751 173.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.482 ' HA ' ' HB3' ' A' ' 6' ' ' MET . 37.5 mt-10 -54.25 -18.21 3.68 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.463 1.105 . . . . 0.0 113.869 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -66.77 -57.38 7.2 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.258 0.623 . . . . 0.0 111.353 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.6 pm0 -77.66 -30.37 52.03 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.176 0.59 . . . . 0.0 110.29 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.482 ' HB3' ' HA ' ' A' ' 3' ' ' GLU . 49.9 ttm -66.41 -34.75 78.65 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.921 0.888 . . . . 0.0 110.541 174.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.04 -35.71 53.14 Favored Glycine 0 C--N 1.349 1.282 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.989 175.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.0 m -72.13 -28.54 63.33 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.118 0.567 . . . . 0.0 110.176 174.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.01 -39.97 60.84 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.844 0.858 . . . . 0.0 109.897 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.59 -47.42 86.31 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.426 1.09 . . . . 0.0 109.803 174.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.43 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 58.0 tptt -61.33 -45.3 95.0 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 114.594 -1.184 . . . . 0.0 110.133 177.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -61.02 -48.29 86.99 Favored Glycine 0 C--N 1.349 1.251 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.617 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.402 HD23 ' HD2' ' A' ' 18' ' ' ARG . 29.5 mt -57.98 -38.16 75.55 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.201 1.0 . . . . 0.0 110.496 178.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.67 -57.27 12.65 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.218 0.607 . . . . 0.0 109.42 175.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 11' ' ' LYS . 37.4 mm-40 -63.32 -46.63 85.76 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.311 0.645 . . . . 0.0 111.942 -172.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -90.68 -12.84 35.54 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.9 0.88 . . . . 0.0 112.106 -172.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.71 57.72 4.06 Favored Glycine 0 CA--C 1.532 1.137 0 CA-C-O 120.083 -0.287 . . . . 0.0 112.899 173.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.432 ' HD3' ' HG ' ' A' ' 52' ' ' LEU . 4.9 tpt180 70.35 7.72 6.33 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 124.729 1.211 . . . . 0.0 112.555 171.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.509 ' O ' HG12 ' A' ' 23' ' ' ILE . 24.4 t-20 -75.4 94.76 3.12 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.172 0.589 . . . . 0.0 109.971 -175.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.495 ' HE3' ' SG ' ' A' ' 35' ' ' CYS . 66.1 m95 -53.38 -35.32 60.19 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.938 1.295 . . . . 0.0 113.039 -172.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.438 ' HA ' HG22 ' A' ' 32' ' ' VAL . 17.3 m -65.64 -43.79 88.38 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 124.052 0.845 . . . . 0.0 110.912 -178.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.48 -37.12 82.4 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.672 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.548 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 7.5 mm -74.06 -46.47 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 122.779 0.432 . . . . 0.0 110.301 -173.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.51 -26.76 68.86 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.321 0.648 . . . . 0.0 111.072 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -80.22 -36.48 34.71 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.8 0.84 . . . . 0.0 110.559 174.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.4 ttt -73.94 -60.67 2.15 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.662 0.785 . . . . 0.0 111.532 -174.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 23' ' ' ILE . 15.8 m -87.06 -38.38 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.441 0.696 . . . . 0.0 111.834 -175.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.08 -45.97 5.76 Favored Glycine 0 C--N 1.346 1.114 0 CA-C-N 116.381 -0.372 . . . . 0.0 113.4 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.3 t 60.96 29.74 19.2 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.282 1.033 . . . . 0.0 109.713 -163.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -125.25 -169.01 1.92 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.843 1.257 . . . . 0.0 110.372 -173.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.0 m -60.87 147.55 42.57 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.758 1.223 . . . . 0.0 111.731 178.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.438 HG22 ' HA ' ' A' ' 21' ' ' SER . 95.3 t -56.29 -33.04 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 C-N-CA 123.978 0.911 . . . . 0.0 111.76 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.7 t -58.21 -29.16 65.48 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.409 1.084 . . . . 0.0 112.068 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -59.02 -49.42 77.98 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.58 0.752 . . . . 0.0 111.581 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.548 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 50.0 t -67.97 -38.35 82.65 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.949 0.5 . . . . 0.0 111.244 -176.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -64.73 -56.56 12.93 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.803 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -60.39 -36.61 78.49 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 123.96 0.787 . . . . 0.0 110.928 -175.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.471 ' HZ ' ' HG3' ' A' ' 6' ' ' MET . 15.1 t80 -54.29 -44.92 72.36 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.684 0.793 . . . . 0.0 110.682 172.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -73.0 -17.67 61.43 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.075 0.55 . . . . 0.0 111.233 -176.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.495 ' HA ' ' HE2' ' A' ' 43' ' ' LYS . 10.8 m-85 -80.68 -31.57 36.25 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.116 0.567 . . . . 0.0 110.959 172.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -76.7 -66.24 0.84 Allowed 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 173.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -72.41 100.51 2.7 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.307 1.043 . . . . 0.0 110.074 174.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.495 ' HE2' ' HA ' ' A' ' 40' ' ' PHE . 60.8 mttm -128.42 143.01 50.93 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.694 0.797 . . . . 0.0 109.567 173.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -133.3 151.56 51.89 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 124.393 1.077 . . . . 0.0 108.252 174.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -62.44 -33.64 75.21 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.25 0.62 . . . . 0.0 111.954 -177.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -161.34 99.62 1.18 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.688 0.795 . . . . 0.0 109.752 -176.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -153.86 -91.76 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.567 0.347 . . . . 0.0 110.797 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -69.09 -32.65 72.23 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 122.655 0.382 . . . . 0.0 110.28 -169.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.64 -37.97 74.23 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.268 0.627 . . . . 0.0 111.385 174.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 9.0 tp10 -72.71 -48.85 35.36 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.463 176.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.9 mt -55.67 -36.1 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 C-N-CA 124.578 1.151 . . . . 0.0 111.297 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.432 ' HG ' ' HD3' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -71.25 -44.4 65.37 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.442 -178.161 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -59.13 -43.79 91.99 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.294 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.512 ' HB3' ' HE3' ' A' ' 58' ' ' LYS . 86.8 mm-40 -61.3 -43.01 99.59 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.681 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -56.41 -41.72 76.79 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 123.548 0.53 . . . . 0.0 110.865 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -64.73 -61.76 1.99 Allowed 'General case' 0 C--N 1.348 0.524 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.259 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 pp -66.56 -31.15 71.68 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 123.909 0.756 . . . . 0.0 112.893 -168.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.512 ' HE3' ' HB3' ' A' ' 54' ' ' GLN . 95.1 mttt -63.96 -51.24 65.27 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.164 0.586 . . . . 0.0 110.672 177.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 53.3 ttm -67.62 -36.5 80.93 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 123.985 0.803 . . . . 0.0 110.611 178.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -63.75 -49.98 70.85 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.498 1.119 . . . . 0.0 112.061 -176.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -71.69 -38.53 70.57 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.972 0.509 . . . . 0.0 111.707 -175.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -35.12 63.92 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -177.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -70.36 -33.68 71.74 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.098 0.559 . . . . 0.0 110.342 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -66.9 -50.51 62.19 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.924 174.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.72 -35.26 76.92 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.286 1.034 . . . . 0.0 112.652 -173.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -73.3 -20.14 60.88 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 122.969 0.507 . . . . 0.0 111.037 -175.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -94.48 -13.25 26.33 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 122.944 0.498 . . . . 0.0 110.725 176.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -83.7 95.71 8.48 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 170.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt 60.54 76.74 0.35 Allowed 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.433 1.093 . . . . 0.0 110.384 -176.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -69.97 139.73 52.86 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.614 -174.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 176.606 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 38.0 m95 . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.4 m -63.12 162.13 12.25 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 123.691 0.796 . . . . 0.0 110.483 176.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -51.53 -29.43 16.78 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.607 1.163 . . . . 0.0 113.162 -174.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.2 -55.46 24.83 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.334 0.654 . . . . 0.0 110.824 -177.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.5 pm0 -78.61 -27.21 45.48 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.445 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 44.8 tpp -53.25 -52.87 57.58 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.751 0.82 . . . . 0.0 111.409 177.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.59 -34.01 88.75 Favored Glycine 0 C--N 1.344 1.001 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.905 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.554 HG22 HG13 ' A' ' 27' ' ' VAL . 28.4 m -70.36 -38.97 74.88 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.007 0.923 . . . . 0.0 111.006 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.552 ' HA ' HG11 ' A' ' 27' ' ' VAL . . . -77.48 -37.57 51.01 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.301 0.64 . . . . 0.0 110.454 -178.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -62.25 -42.63 99.5 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 123.966 0.791 . . . . 0.0 109.726 173.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -61.19 -41.8 97.46 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.864 0.865 . . . . 0.0 110.118 175.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.51 -48.99 77.8 Favored Glycine 0 C--N 1.345 1.048 0 O-C-N 123.46 0.475 . . . . 0.0 113.01 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.424 ' HB3' HD21 ' A' ' 48' ' ' LEU . 46.4 mt -69.0 -26.76 65.18 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.106 0.962 . . . . 0.0 110.49 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.9 tp -76.07 -39.03 56.31 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 123.25 0.62 . . . . 0.0 110.885 176.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -93.5 -62.72 1.31 Allowed 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 120.942 0.401 . . . . 0.0 110.787 -173.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -79.39 -29.25 41.96 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.873 0.869 . . . . 0.0 111.72 -174.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.417 ' HA2' HD12 ' A' ' 52' ' ' LEU . . . 100.76 -155.63 19.31 Favored Glycine 0 C--N 1.343 0.948 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.991 178.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -88.58 19.5 3.89 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.505 0.722 . . . . 0.0 112.284 -176.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.436 ' O ' HG12 ' A' ' 23' ' ' ILE . 28.5 m-80 -74.38 87.55 2.04 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 177.159 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -60.25 -27.75 67.48 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.816 0.846 . . . . 0.0 112.023 -168.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.1 t -67.0 -38.09 85.38 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.256 0.622 . . . . 0.0 110.761 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.98 -44.97 45.24 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.666 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.436 HG12 ' O ' ' A' ' 19' ' ' ASN . 26.6 mm -67.38 -52.48 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.078 -174.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.29 -22.33 64.73 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -174.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -80.72 -33.48 35.21 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 122.85 0.46 . . . . 0.0 110.073 176.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 55.7 ttp -77.94 -59.18 2.89 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.54 0.736 . . . . 0.0 111.452 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.554 HG13 HG22 ' A' ' 8' ' ' THR . 3.8 m -85.71 -42.36 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.203 1.001 . . . . 0.0 111.563 -171.209 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.03 -39.84 11.12 Favored Glycine 0 C--N 1.35 1.336 0 O-C-N 123.587 0.554 . . . . 0.0 112.187 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.6 t 65.39 10.26 6.4 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.127 1.371 . . . . 0.0 112.036 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -133.68 -78.23 0.47 Allowed 'General case' 0 C--N 1.36 1.031 0 O-C-N 121.84 -0.537 . . . . 0.0 111.719 -172.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.2 m -125.23 136.99 54.1 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.018 0.527 . . . . 0.0 111.407 -165.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.6 -40.89 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 123.657 0.783 . . . . 0.0 111.18 175.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.3 m -57.95 -28.8 64.65 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.111 0.964 . . . . 0.0 111.856 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -62.09 -49.06 77.45 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.537 0.735 . . . . 0.0 111.381 -178.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 51.9 t -72.92 -26.6 61.46 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.15 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.436 ' HE2' ' HB3' ' A' ' 36' ' ' LYS . 37.0 mtpt -65.61 -41.7 92.43 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.393 171.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -66.64 -29.91 70.05 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.478 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -50.54 -44.86 56.51 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 124.066 0.946 . . . . 0.0 110.331 172.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -64.79 -33.49 76.1 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 114.148 -1.387 . . . . 0.0 112.25 -172.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -98.67 -35.86 10.04 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.033 0.533 . . . . 0.0 111.936 -173.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.402 ' N ' HD21 ' A' ' 41' ' ' ASN . 0.8 OUTLIER -74.95 -23.69 58.35 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.309 0.644 . . . . 0.0 110.878 -175.651 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -100.52 96.08 7.15 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.569 0.7 . . . . 0.0 111.589 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -105.72 165.53 11.1 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-N 114.404 -1.271 . . . . 0.0 108.181 168.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm 66.42 4.48 3.27 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.027 0.931 . . . . 0.0 112.835 177.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -134.57 104.81 6.23 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.91 0.884 . . . . 0.0 110.165 -172.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 46.17 96.54 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 125.433 1.493 . . . . 0.0 113.929 168.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -64.92 126.42 27.95 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-O 121.051 0.453 . . . . 0.0 109.938 -176.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.424 HD21 ' HB3' ' A' ' 13' ' ' LEU . 3.0 tm? -63.34 -27.71 69.5 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.185 0.994 . . . . 0.0 111.344 -174.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -64.64 -32.18 73.72 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.364 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 40.2 tt0 -74.33 -39.17 63.01 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.098 0.559 . . . . 0.0 110.255 177.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.2 mt -57.3 -46.84 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 123.368 0.667 . . . . 0.0 110.542 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.417 HD12 ' HA2' ' A' ' 17' ' ' GLY . 4.5 mm? -72.29 -31.27 65.58 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.721 178.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -65.45 -49.82 67.7 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.81 0.444 . . . . 0.0 110.654 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 80.3 mm-40 -60.96 -48.92 79.6 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 124.159 0.912 . . . . 0.0 109.678 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -53.18 -46.0 68.75 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 123.68 0.612 . . . . 0.0 111.394 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -59.71 -57.39 13.14 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 123.756 0.66 . . . . 0.0 110.776 -177.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 pp -68.33 -30.02 68.9 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.595 0.56 . . . . 0.0 111.783 -173.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.528 ' HA ' ' HE3' ' A' ' 61' ' ' LYS . 59.4 mtpt -68.29 -49.91 57.23 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.075 0.55 . . . . 0.0 111.158 178.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 37.5 mmt -65.6 -42.75 91.29 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 123.616 0.573 . . . . 0.0 109.931 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -69.87 -41.76 74.38 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.358 -171.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.528 ' HE3' ' HA ' ' A' ' 58' ' ' LYS . 23.1 pttp -67.46 -41.69 84.25 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 123.032 0.208 . . . . 0.0 111.37 -174.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -27.67 60.61 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.465 0.306 . . . . 0.0 110.507 178.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -68.77 -40.21 79.84 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.131 0.972 . . . . 0.0 110.134 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -67.04 -38.53 86.05 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.746 176.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.16 -40.38 78.21 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.744 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -79.28 -14.77 58.8 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 122.796 0.439 . . . . 0.0 111.854 -173.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -101.22 -47.83 4.59 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -86.55 76.39 9.58 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 174.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -85.48 62.35 7.42 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.95 -177.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -91.0 96.64 10.73 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.011 -174.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.169 0 C-N-CA 124.17 0.988 . . . . 0.0 110.216 -176.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 40.5 m95 . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.5 m -76.38 163.89 26.54 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 123.719 0.808 . . . . 0.0 109.416 174.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.498 ' HA ' ' HB2' ' A' ' 6' ' ' MET . 38.3 mt-10 -57.18 -19.37 20.26 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -176.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -63.14 -57.52 10.28 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.461 0.704 . . . . 0.0 110.607 175.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -77.56 -29.45 52.2 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.25 0.62 . . . . 0.0 110.9 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.498 ' HB2' ' HA ' ' A' ' 3' ' ' GLU . 84.0 mmm -63.53 -38.97 93.17 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.206 0.602 . . . . 0.0 110.907 172.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.93 -32.39 53.34 Favored Glycine 0 C--N 1.343 0.924 0 O-C-N 123.817 0.698 . . . . 0.0 112.768 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.402 HG21 HG12 ' A' ' 27' ' ' VAL . 32.6 m -77.32 -29.57 53.67 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.229 0.612 . . . . 0.0 110.61 175.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.08 -33.07 61.63 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.368 0.667 . . . . 0.0 109.592 174.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.509 ' HG2' HD12 ' A' ' 51' ' ' ILE . 1.2 tmtp? -64.65 -51.93 60.01 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.204 1.001 . . . . 0.0 109.662 174.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -59.73 -38.76 82.6 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.0 1.32 . . . . 0.0 110.014 176.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.25 -48.83 56.59 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-N 115.04 -0.982 . . . . 0.0 112.436 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.55 HD12 HD12 ' A' ' 48' ' ' LEU . 76.0 mt -66.11 -39.28 89.81 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.231 0.612 . . . . 0.0 110.871 -175.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.48 HD11 ' HB2' ' A' ' 55' ' ' HIS . 42.1 tp -59.47 -54.42 46.87 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 123.665 0.603 . . . . 0.0 110.548 175.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -65.65 -57.4 8.2 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.582 0.753 . . . . 0.0 110.651 -174.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.44 ' HB2' HD13 ' A' ' 23' ' ' ILE . 85.0 m-70 -78.11 -14.94 59.29 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.037 0.935 . . . . 0.0 112.974 -173.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 68.79 56.4 9.5 Favored Glycine 0 CA--C 1.538 1.479 0 CA-C-O 120.082 -0.288 . . . . 0.0 113.476 177.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.535 ' HG3' ' HG ' ' A' ' 52' ' ' LEU . 57.2 mtt180 59.63 23.11 11.86 Favored 'General case' 0 N--CA 1.5 2.052 0 C-N-CA 124.545 1.138 . . . . 0.0 113.561 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.486 ' O ' HG12 ' A' ' 23' ' ' ILE . 19.9 t-20 -75.21 86.55 2.44 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 176.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 45.3 m95 -58.84 -26.45 64.18 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 123.882 0.873 . . . . 0.0 112.232 -172.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.503 ' HA ' HG21 ' A' ' 32' ' ' VAL . 45.2 t -59.32 -47.51 85.11 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.172 0.989 . . . . 0.0 110.573 173.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.19 -38.67 63.56 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 115.008 -0.997 . . . . 0.0 111.735 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.486 HG12 ' O ' ' A' ' 19' ' ' ASN . 19.6 mm -72.51 -42.45 63.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 122.752 0.421 . . . . 0.0 110.617 -173.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.36 -37.21 79.99 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.858 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.3 ttt85 -73.38 -38.79 65.53 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 123.497 0.719 . . . . 0.0 110.879 174.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.5 ttt -68.33 -61.46 1.83 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.39 0.676 . . . . 0.0 111.599 -172.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.402 HG12 HG21 ' A' ' 8' ' ' THR . 18.9 m -87.17 -42.9 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 123.189 0.595 . . . . 0.0 111.708 -176.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.19 -41.21 8.67 Favored Glycine 0 C--N 1.346 1.122 0 CA-C-N 115.503 -0.771 . . . . 0.0 114.031 -174.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t 58.81 30.1 19.62 Favored 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 124.491 1.116 . . . . 0.0 109.474 -162.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -129.31 172.74 11.18 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.911 1.285 . . . . 0.0 110.076 -167.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.6 m -45.47 142.15 2.37 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 126.039 1.736 . . . . 0.0 113.46 176.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.503 HG21 ' HA ' ' A' ' 21' ' ' SER . 76.5 t -55.8 -37.27 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 C-N-CA 123.969 0.907 . . . . 0.0 111.149 178.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.406 ' HA ' ' HE3' ' A' ' 36' ' ' LYS . 15.6 m -54.22 -35.29 62.27 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.623 1.169 . . . . 0.0 112.241 178.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -63.05 -54.36 39.35 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.999 0.52 . . . . 0.0 111.923 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.419 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 44.0 t -71.78 -32.82 68.05 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-O 121.179 0.514 . . . . 0.0 111.179 -176.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' A' ' 33' ' ' SER . 24.9 ttpp -67.54 -46.77 71.82 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.308 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -74.57 -24.95 58.99 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.727 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.46 ' HZ ' ' SD ' ' A' ' 6' ' ' MET . 41.9 t80 -59.95 -24.56 64.48 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.473 0.709 . . . . 0.0 111.228 176.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -63.78 -16.53 61.44 Favored 'General case' 0 CA--C 1.56 1.357 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 178.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -103.02 8.31 38.92 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 124.765 1.226 . . . . 0.0 110.655 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -129.39 123.35 31.47 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.958 1.303 . . . . 0.0 109.053 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 38.4 t80 57.56 35.01 25.31 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.549 0.74 . . . . 0.0 110.7 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -60.25 119.4 7.82 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.6 -177.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.637 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 6.3 mmtt -71.0 115.58 10.29 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.435 0.694 . . . . 0.0 110.458 -176.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -58.64 98.9 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.006 1.322 . . . . 0.0 110.912 -177.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 71.34 -36.46 0.36 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.821 1.648 . . . . 0.0 113.232 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.637 ' HB2' ' HD2' ' A' ' 44' ' ' LYS . 13.6 m120 -69.2 -22.64 63.88 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.005 0.922 . . . . 0.0 113.018 -165.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.55 HD12 HD12 ' A' ' 13' ' ' LEU . 2.5 tm? -89.11 -41.88 12.03 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 174.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -66.26 -38.35 87.65 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.061 -172.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 12.7 pt-20 -62.04 -37.03 83.39 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.578 0.751 . . . . 0.0 110.363 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.509 HD12 ' HG2' ' A' ' 10' ' ' LYS . 92.5 mt -54.73 -46.23 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.198 0.999 . . . . 0.0 111.348 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.535 ' HG ' ' HG3' ' A' ' 18' ' ' ARG . 4.3 mm? -77.54 -33.64 54.1 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.647 -178.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -65.48 -38.7 90.52 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 17.8 mm-40 -70.85 -42.36 70.22 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.942 176.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.48 ' HB2' HD11 ' A' ' 14' ' ' LEU . 27.1 t-80 -54.19 -45.54 72.18 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.105 0.562 . . . . 0.0 110.217 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -59.33 -53.79 54.2 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.004 0.921 . . . . 0.0 112.062 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.3 -25.28 63.25 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.643 0.377 . . . . 0.0 111.717 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.526 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 7.5 mtpm? -72.03 -49.64 35.13 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 122.941 0.497 . . . . 0.0 110.501 175.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 17.7 mmt -53.33 -38.79 63.54 Favored 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 124.021 0.928 . . . . 0.0 110.327 175.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -69.15 -53.99 17.25 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 114.372 -1.286 . . . . 0.0 111.63 178.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.526 ' HG2' ' HA ' ' A' ' 58' ' ' LYS . 21.2 ptmt -69.26 -38.4 78.39 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -169.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.21 -38.58 78.65 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.047 0.539 . . . . 0.0 110.705 -177.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -73.47 -37.3 65.83 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.097 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -71.48 -34.54 70.27 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.889 0.476 . . . . 0.0 110.472 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.1 -40.37 74.98 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.411 0.685 . . . . 0.0 111.506 -176.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -77.89 -15.18 59.22 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.787 0.435 . . . . 0.0 111.451 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -95.57 -13.21 24.61 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.68 0.392 . . . . 0.0 110.518 169.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -85.46 69.61 10.7 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 122.552 1.168 . . . . 0.0 109.081 176.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -101.57 -5.37 25.22 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 113.664 -1.607 . . . . 0.0 109.249 171.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.03 112.38 24.35 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 124.902 1.281 . . . . 0.0 108.567 176.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.0 pttt . . . . . 0 C--O 1.25 1.083 0 C-N-CA 123.555 0.742 . . . . 0.0 109.806 -179.832 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 73.1 m95 . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.9 m -67.91 150.25 48.77 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 171.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -61.03 -23.23 65.27 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-N 118.278 0.49 . . . . 0.0 111.512 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -62.65 -56.33 18.72 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.607 0.763 . . . . 0.0 111.241 175.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -72.62 -29.1 63.19 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.191 0.596 . . . . 0.0 110.841 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 37.9 ttm -66.91 -31.5 72.14 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.139 0.976 . . . . 0.0 110.874 177.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.37 -35.06 75.43 Favored Glycine 0 C--N 1.347 1.149 0 O-C-N 123.675 0.609 . . . . 0.0 112.429 174.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.6 m -69.42 -36.36 76.61 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.625 0.77 . . . . 0.0 110.323 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.23 -45.6 76.28 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.037 175.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -59.24 -42.82 91.99 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.968 1.307 . . . . 0.0 111.444 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -72.9 -34.94 66.96 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.32 0.648 . . . . 0.0 110.521 178.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.47 -44.9 92.32 Favored Glycine 0 C--N 1.347 1.141 0 N-CA-C 112.176 -0.37 . . . . 0.0 112.176 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.502 HD22 HG13 ' A' ' 23' ' ' ILE . 43.0 mt -63.26 -24.36 67.84 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.946 1.298 . . . . 0.0 111.053 177.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.7 tt -75.48 -58.19 3.43 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 122.772 0.429 . . . . 0.0 109.954 170.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.76 -63.07 1.43 Allowed 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 124.127 0.971 . . . . 0.0 111.98 -170.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -82.14 -25.83 34.02 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.453 -173.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.19 -175.17 23.68 Favored Glycine 0 C--N 1.336 0.563 0 N-CA-C 110.159 -1.176 . . . . 0.0 110.159 -166.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.466 ' HG3' HD23 ' A' ' 13' ' ' LEU . 40.6 ttp180 -85.06 32.32 0.54 Allowed 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 117.586 0.693 . . . . 0.0 110.948 -178.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.428 ' O ' HG12 ' A' ' 23' ' ' ILE . 39.7 m-20 -75.25 88.48 2.52 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.559 1.143 . . . . 0.0 108.687 -177.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -58.88 -25.75 63.63 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -166.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.448 ' HA ' HG22 ' A' ' 32' ' ' VAL . 42.6 t -68.99 -42.39 76.58 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 117.949 0.34 . . . . 0.0 110.349 177.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.89 -41.82 64.25 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.028 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.502 HG13 HD22 ' A' ' 13' ' ' LEU . 40.1 mm -69.55 -37.72 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.172 0.589 . . . . 0.0 110.529 -175.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.21 -22.44 57.95 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.01 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -82.24 -26.02 33.6 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.032 0.533 . . . . 0.0 110.123 172.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.5 ttt -76.07 -60.52 2.29 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.534 0.734 . . . . 0.0 110.627 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.0 m -85.97 -47.74 16.36 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 C-N-CA 123.044 0.538 . . . . 0.0 111.743 -174.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.59 -41.33 9.08 Favored Glycine 0 C--N 1.352 1.437 0 C-N-CA 122.83 0.252 . . . . 0.0 113.018 -178.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.2 t 56.86 23.71 8.43 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 125.205 1.402 . . . . 0.0 112.119 -173.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -136.01 -69.14 0.49 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.955 0.502 . . . . 0.0 111.903 -172.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 60.8 m -133.59 131.51 39.75 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -169.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.448 HG22 ' HA ' ' A' ' 21' ' ' SER . 68.0 t -63.05 -42.78 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 C-N-CA 124.473 1.109 . . . . 0.0 111.401 177.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.9 m -56.6 -44.04 80.73 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.873 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -57.41 -45.24 84.8 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -172.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 47.8 t -77.05 -33.41 57.28 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.451 -178.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -70.64 -46.93 62.38 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.195 0.598 . . . . 0.0 110.814 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -61.21 -32.9 72.67 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.726 1.21 . . . . 0.0 111.342 -175.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -48.06 -45.51 32.4 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.584 1.153 . . . . 0.0 111.584 175.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -58.39 -30.69 67.01 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.506 -175.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -102.22 -20.01 14.84 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.308 1.043 . . . . 0.0 111.916 -174.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -73.05 -22.97 60.53 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 118.364 0.529 . . . . 0.0 110.817 175.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.82 108.29 9.75 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.565 ' HB3' ' HZ1' ' A' ' 43' ' ' LYS . 8.5 mtpm? -67.97 -31.41 71.12 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.605 0.762 . . . . 0.0 111.012 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -73.66 142.03 46.46 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.705 172.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -62.56 105.49 0.64 Allowed 'General case' 0 C--O 1.242 0.684 0 O-C-N 123.783 0.677 . . . . 0.0 110.151 177.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -70.96 108.94 4.79 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 167.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.494 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 25.7 m-80 -82.47 46.14 1.03 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.843 0.857 . . . . 0.0 110.054 178.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.534 ' HA ' HD12 ' A' ' 51' ' ' ILE . 2.9 tm? -79.05 -16.48 56.75 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.6 1.56 . . . . 0.0 108.984 177.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -54.7 -43.21 72.34 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.533 1.133 . . . . 0.0 111.572 173.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 47' ' ' ASN . 12.3 pt-20 -73.81 -23.8 59.72 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 123.252 0.345 . . . . 0.0 111.279 -178.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' A' ' 48' ' ' LEU . 1.8 mp -64.96 -46.96 90.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 C-N-CA 123.234 0.614 . . . . 0.0 109.535 175.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.72 -38.51 86.83 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.858 176.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -67.57 -41.29 84.42 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.372 0.669 . . . . 0.0 111.229 -177.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 14.9 mm-40 -65.15 -47.69 76.18 Favored 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -61.89 -30.06 70.62 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 123.573 0.546 . . . . 0.0 110.873 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -70.49 -52.01 25.0 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.969 0.908 . . . . 0.0 111.421 -179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 pp -72.25 -27.74 62.69 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.021 0.528 . . . . 0.0 111.46 -176.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.438 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 97.0 mttt -73.73 -40.45 63.55 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 174.295 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 57.3 ttp -57.25 -36.4 70.93 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.877 0.871 . . . . 0.0 111.316 178.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -68.67 -58.73 3.82 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.765 177.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.438 ' HG2' ' HA ' ' A' ' 58' ' ' LYS . 59.7 pttt -65.05 -33.88 77.1 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 123.467 0.48 . . . . 0.0 112.009 -170.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -77.36 -32.55 55.12 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.726 0.41 . . . . 0.0 110.806 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -74.64 -35.31 62.87 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.335 0.654 . . . . 0.0 109.694 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -71.56 -33.14 68.85 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.562 173.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.01 -39.79 60.96 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 122.966 0.506 . . . . 0.0 111.707 -178.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -76.53 -16.24 59.67 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 122.666 0.387 . . . . 0.0 111.576 -177.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -99.05 -13.85 19.68 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.56 0.744 . . . . 0.0 110.565 171.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt 67.48 9.42 7.01 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 125.691 1.596 . . . . 0.0 111.801 -170.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -74.91 84.85 2.23 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 124.703 1.201 . . . . 0.0 110.858 -174.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -155.79 152.54 28.57 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 174.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.582 ' HZ3' ' HB3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.557 1.231 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 174.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 99.5 m95 . . . . . 0 N--CA 1.473 0.706 0 CA-C-O 121.145 0.498 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.0 m -78.14 155.5 30.44 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.552 1.141 . . . . 0.0 109.361 173.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -57.21 -20.86 29.54 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -175.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -73.23 -55.23 6.72 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.68 0.392 . . . . 0.0 110.5 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -68.72 -30.39 69.02 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 122.891 0.477 . . . . 0.0 110.684 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 46.6 tpp -66.16 -38.45 88.13 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.381 1.072 . . . . 0.0 110.555 175.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.23 -36.78 71.23 Favored Glycine 0 C--N 1.344 0.973 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.347 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.6 m -73.98 -28.78 61.65 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.271 0.628 . . . . 0.0 110.217 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.31 -50.14 42.36 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 177.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.404 ' HG3' HD12 ' A' ' 51' ' ' ILE . 76.5 tttt -55.88 -42.24 75.63 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.898 1.279 . . . . 0.0 111.137 173.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -67.55 -35.59 79.35 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 123.786 0.679 . . . . 0.0 110.251 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.24 -46.01 67.07 Favored Glycine 0 C--N 1.341 0.855 0 CA-C-N 116.079 -0.509 . . . . 0.0 112.155 174.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.7 mt -65.3 -23.46 67.03 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.589 1.156 . . . . 0.0 110.724 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.512 HD12 ' HB2' ' A' ' 55' ' ' HIS . 63.2 tp -75.26 -60.56 2.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.033 0.533 . . . . 0.0 109.625 171.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -75.66 -60.69 2.2 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.247 0.619 . . . . 0.0 111.547 -168.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -67.7 -41.13 84.09 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 121.547 0.689 . . . . 0.0 110.328 176.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.62 -167.62 16.64 Favored Glycine 0 CA--C 1.523 0.546 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.964 -170.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 46.5 mtm180 -82.73 50.0 1.6 Allowed 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 121.592 0.71 . . . . 0.0 110.997 176.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.437 ' O ' HG12 ' A' ' 23' ' ' ILE . 70.7 m-20 -88.83 90.9 8.61 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 107.362 -1.348 . . . . 0.0 107.362 175.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.417 ' HE3' ' SG ' ' A' ' 35' ' ' CYS . 57.9 m95 -56.89 -38.35 72.65 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.482 1.113 . . . . 0.0 113.066 -163.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.1 t -62.3 -50.38 71.9 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.178 0.591 . . . . 0.0 110.557 175.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.54 -40.94 96.49 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.413 0.685 . . . . 0.0 111.857 -176.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 19' ' ' ASN . 25.1 mm -75.22 -39.57 42.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 123.052 0.541 . . . . 0.0 110.436 -175.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.51 -23.8 62.72 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.269 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -82.7 -28.85 30.26 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.345 0.658 . . . . 0.0 110.775 170.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.2 ttt -74.41 -61.21 1.95 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.008 0.523 . . . . 0.0 110.943 -176.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.8 m -88.92 -46.23 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 122.84 0.456 . . . . 0.0 111.955 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.31 -24.99 62.24 Favored Glycine 0 C--N 1.344 0.986 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.653 -175.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.6 t 65.09 13.42 8.69 Favored 'General case' 0 CA--C 1.559 1.321 0 C-N-CA 124.803 1.241 . . . . 0.0 112.06 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.464 ' HB2' ' NE2' ' A' ' 34' ' ' GLN . 28.1 mtpp -140.29 -147.53 0.22 Allowed 'General case' 0 CA--C 1.566 1.561 0 C-N-CA 123.866 0.867 . . . . 0.0 110.567 -170.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 56.0 m -67.62 148.87 50.81 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.196 1.398 . . . . 0.0 112.984 -170.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.9 p -47.98 -32.36 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 C-N-CA 125.719 1.607 . . . . 0.0 113.007 177.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.2 m -52.43 -33.88 46.08 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.787 1.235 . . . . 0.0 113.507 -177.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.464 ' NE2' ' HB2' ' A' ' 30' ' ' LYS . 41.0 mt-30 -58.37 -49.56 76.79 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.957 0.503 . . . . 0.0 111.963 -174.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.417 ' SG ' ' HE3' ' A' ' 20' ' ' TRP . 35.8 t -77.09 -31.52 55.98 Favored 'General case' 0 N--CA 1.481 1.102 0 O-C-N 123.52 0.512 . . . . 0.0 110.937 -175.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.38 -48.33 75.89 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.266 0.627 . . . . 0.0 111.285 175.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -71.79 -41.9 67.74 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.833 -177.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -49.13 -46.96 45.81 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 124.358 1.063 . . . . 0.0 111.654 176.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -65.81 -40.68 92.11 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.775 -169.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -103.98 -5.56 22.09 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 123.467 0.707 . . . . 0.0 112.387 -172.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -101.46 -48.07 4.47 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 122.912 0.485 . . . . 0.0 109.959 175.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -85.74 13.65 6.91 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 123.523 0.729 . . . . 0.0 110.663 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -57.38 110.8 0.92 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.111 0.964 . . . . 0.0 111.422 176.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -131.75 25.16 4.7 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.092 0.957 . . . . 0.0 109.961 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 36.0 ttp-105 64.9 79.11 0.26 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.627 1.171 . . . . 0.0 109.928 -174.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -93.46 159.69 15.13 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.457 177.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -87.27 19.62 3.13 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.02 0.928 . . . . 0.0 110.707 177.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.484 ' HA ' HD13 ' A' ' 51' ' ' ILE . 2.3 tm? -64.82 -30.71 71.72 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.079 0.952 . . . . 0.0 111.046 -174.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -61.99 -39.55 92.59 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.431 0.692 . . . . 0.0 111.134 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -72.16 -36.94 69.44 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.687 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.484 HD13 ' HA ' ' A' ' 48' ' ' LEU . 82.0 mt -57.98 -42.42 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 124.086 0.954 . . . . 0.0 111.315 179.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.426 HD23 HD11 ' A' ' 48' ' ' LEU . 4.1 mm? -67.11 -46.47 74.08 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.172 177.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -59.64 -45.85 90.75 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.842 0.857 . . . . 0.0 110.992 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.433 ' HB3' ' HE2' ' A' ' 58' ' ' LYS . 18.0 mm-40 -60.88 -52.21 66.01 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 124.062 0.851 . . . . 0.0 110.524 179.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.512 ' HB2' HD12 ' A' ' 14' ' ' LEU . 68.6 t60 -55.88 -41.26 74.17 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.322 0.649 . . . . 0.0 111.339 -178.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -60.42 -58.47 8.35 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.251 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 pp -74.14 -28.56 61.39 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.968 0.507 . . . . 0.0 112.239 -171.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.433 ' HE2' ' HB3' ' A' ' 54' ' ' GLN . 68.5 mttm -67.67 -48.49 66.47 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 176.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 49.0 ttm -68.0 -29.89 69.02 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 123.92 0.763 . . . . 0.0 111.128 177.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -71.95 -44.47 63.53 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 122.916 0.486 . . . . 0.0 111.188 -177.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -69.68 -39.99 76.66 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.693 -174.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.72 -34.76 72.26 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 123.336 0.398 . . . . 0.0 109.961 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -60.97 -44.0 97.98 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.369 1.068 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -65.65 -48.15 73.11 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.701 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.04 -44.92 95.67 Favored 'General case' 0 CA--C 1.548 0.887 0 O-C-N 123.795 0.685 . . . . 0.0 112.221 -175.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -72.16 -19.62 61.73 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.389 0.675 . . . . 0.0 112.393 -172.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -109.33 -65.11 1.17 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 122.848 0.459 . . . . 0.0 109.79 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -83.06 82.52 8.21 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.648 0.779 . . . . 0.0 109.401 175.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -84.89 90.3 7.76 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 176.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.442 ' HZ1' ' HA ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -128.86 122.75 31.06 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.979 0.911 . . . . 0.0 109.799 -178.477 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt . . . . . 0 CA--C 1.561 1.4 0 C-N-CA 124.044 0.937 . . . . 0.0 109.238 178.652 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.416 ' HB2' ' HE2' ' A' ' 6' ' ' MET . 83.8 m95 . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.607 0.241 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.5 m -71.34 155.6 40.47 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.683 1.193 . . . . 0.0 109.58 172.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.04 -20.99 63.19 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -66.25 -55.59 15.42 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.337 0.655 . . . . 0.0 110.688 174.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -74.89 -27.78 60.37 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.561 0.745 . . . . 0.0 111.452 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.416 ' HE2' ' HB2' ' A' ' 1' ' ' TRP . 8.6 mmt -59.62 -45.57 91.56 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.894 0.878 . . . . 0.0 110.167 169.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.31 -36.3 92.57 Favored Glycine 0 C--N 1.343 0.963 0 CA-C-N 114.979 -1.01 . . . . 0.0 112.735 175.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.3 m -69.29 -33.52 73.33 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.544 0.738 . . . . 0.0 111.13 176.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.22 -38.37 56.5 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.452 0.701 . . . . 0.0 110.286 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -67.1 -47.49 71.04 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.458 0.703 . . . . 0.0 109.761 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -72.04 -31.95 66.65 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.974 0.91 . . . . 0.0 110.078 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.86 -56.38 14.86 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.893 176.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.428 HD23 HG13 ' A' ' 23' ' ' ILE . 44.8 mt -61.28 -32.19 72.02 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.111 0.964 . . . . 0.0 111.051 177.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.2 tp -58.36 -57.83 11.16 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.828 0.851 . . . . 0.0 110.133 175.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -78.77 -59.98 2.56 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.763 0.825 . . . . 0.0 112.517 -171.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -79.76 -7.1 58.44 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.697 0.799 . . . . 0.0 111.724 -170.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.538 ' HA2' HD11 ' A' ' 52' ' ' LEU . . . 87.13 -174.71 45.83 Favored Glycine 0 C--N 1.343 0.968 0 N-CA-C 112.062 -0.415 . . . . 0.0 112.062 -176.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -86.06 35.43 0.64 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.479 0.712 . . . . 0.0 111.171 178.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -81.34 95.86 7.14 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.259 1.024 . . . . 0.0 108.261 178.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.447 ' HE3' ' SG ' ' A' ' 35' ' ' CYS . 26.8 m95 -60.23 -32.23 70.93 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.693 0.797 . . . . 0.0 112.025 -168.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.412 ' HA ' HG22 ' A' ' 32' ' ' VAL . 32.2 t -65.53 -39.0 91.27 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.398 0.679 . . . . 0.0 111.395 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.81 -46.36 58.45 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.429 0.692 . . . . 0.0 110.476 -177.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.549 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 24.9 mm -73.34 -29.92 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.136 -175.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.433 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . . . -62.63 -32.28 73.29 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.175 0.59 . . . . 0.0 112.235 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -81.45 -37.82 27.4 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 175.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.3 ttt -64.63 -59.47 4.24 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.25 0.62 . . . . 0.0 111.189 -176.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 23' ' ' ILE . 13.1 m -88.04 -46.2 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.233 0.613 . . . . 0.0 112.305 -178.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.1 -43.81 7.93 Favored Glycine 0 C--N 1.349 1.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 113.193 -171.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.3 m 55.35 29.13 12.47 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.927 1.291 . . . . 0.0 111.845 -173.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -139.04 -80.91 0.31 Allowed 'General case' 0 C--N 1.354 0.778 0 C-N-CA 122.392 0.277 . . . . 0.0 111.403 -169.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.6 m -139.94 151.72 45.79 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.569 0.748 . . . . 0.0 110.227 -174.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.433 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 95.3 t -63.75 -32.8 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 123.599 0.76 . . . . 0.0 111.79 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.7 m -57.37 -26.78 61.57 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.957 0.903 . . . . 0.0 112.532 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -63.34 -52.18 62.85 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.8 0.44 . . . . 0.0 110.846 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.549 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 53.0 t -74.82 -32.01 61.84 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.521 -178.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -74.41 -47.45 33.79 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.627 0.771 . . . . 0.0 111.101 -176.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -74.79 -20.01 59.96 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.336 0.654 . . . . 0.0 111.036 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -58.99 -37.79 77.67 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.087 0.555 . . . . 0.0 109.879 170.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -71.55 -18.56 62.25 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.214 1.005 . . . . 0.0 111.721 -176.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.2 m-30 -74.98 -14.24 60.6 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.267 0.627 . . . . 0.0 111.144 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.427 ' N ' HD21 ' A' ' 41' ' ' ASN . 0.0 OUTLIER -142.02 165.72 26.66 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.976 0.911 . . . . 0.0 110.069 -178.902 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 54.8 t80 65.72 2.72 2.21 Favored 'General case' 0 N--CA 1.498 1.948 0 C-N-CA 123.97 0.908 . . . . 0.0 112.172 177.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 47' ' ' ASN . 26.9 ttpp -81.75 -13.41 57.82 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.809 1.244 . . . . 0.0 111.461 -171.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.64 -31.0 20.02 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.043 0.537 . . . . 0.0 109.936 173.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -76.93 91.01 3.55 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.159 0.584 . . . . 0.0 109.905 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 59.88 85.86 0.1 Allowed 'General case' 0 C--N 1.36 1.062 0 C-N-CA 124.926 1.29 . . . . 0.0 109.074 -169.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.488 HD21 ' HB3' ' A' ' 49' ' ' ASP . 4.9 p-10 -59.68 127.0 29.84 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-O 121.521 0.676 . . . . 0.0 111.01 -170.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.24 -22.1 66.82 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.05 1.34 . . . . 0.0 110.862 -173.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.488 ' HB3' HD21 ' A' ' 47' ' ' ASN . 27.7 t70 -64.07 -38.49 91.27 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.628 0.771 . . . . 0.0 111.189 173.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -70.79 -34.35 71.67 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.265 0.626 . . . . 0.0 110.402 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.4 mt -62.74 -43.42 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.302 0.641 . . . . 0.0 109.703 177.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.538 HD11 ' HA2' ' A' ' 17' ' ' GLY . 4.3 mm? -68.77 -35.39 76.99 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.549 175.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.98 -36.96 75.6 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 122.976 0.511 . . . . 0.0 110.381 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -66.5 -40.63 89.34 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.196 0.598 . . . . 0.0 110.173 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -65.37 -37.05 85.85 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 123.718 0.636 . . . . 0.0 110.31 176.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -67.68 -61.41 1.9 Allowed 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.549 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 pp -62.48 -36.48 82.62 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.749 0.819 . . . . 0.0 111.569 -171.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -64.03 -60.07 3.69 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 123.51 0.506 . . . . 0.0 110.048 175.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 51.3 ttm -60.24 -30.71 69.59 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 123.742 0.651 . . . . 0.0 111.248 -176.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -65.73 -60.1 3.24 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.918 0.887 . . . . 0.0 109.845 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -71.35 -33.58 69.72 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.908 -171.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.32 -30.61 57.76 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.465 0.306 . . . . 0.0 110.682 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -67.74 -55.0 14.79 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 174.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -60.26 -31.52 70.29 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 123.307 0.379 . . . . 0.0 111.203 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.04 -51.55 63.61 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.311 0.644 . . . . 0.0 111.009 176.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -76.71 -9.96 59.04 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 122.787 0.435 . . . . 0.0 111.339 -178.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -96.19 4.4 52.47 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.425 0.69 . . . . 0.0 111.134 172.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -132.65 37.29 3.49 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-O 122.038 0.923 . . . . 0.0 109.159 168.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.02 85.76 1.81 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 114.331 -1.304 . . . . 0.0 109.832 176.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.481 ' HZ2' ' HB2' ' A' ' 70' ' ' LYS . 0.1 OUTLIER 56.49 97.46 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 125.435 1.494 . . . . 0.0 112.425 -178.405 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.557 1.238 0 C-N-CA 124.459 1.103 . . . . 0.0 110.083 174.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 55.5 m95 . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 120.735 0.303 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 34.1 m -107.47 161.58 14.7 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 124.405 1.082 . . . . 0.0 109.069 176.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -53.91 -19.23 4.24 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -56.16 -58.98 5.62 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-O 121.353 0.597 . . . . 0.0 110.575 171.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -81.18 -34.32 32.43 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.102 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.44 ' HE1' ' HZ ' ' A' ' 38' ' ' PHE . 89.3 mtp -75.33 -23.29 57.24 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.407 0.683 . . . . 0.0 112.022 -177.396 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.1 -42.42 58.7 Favored Glycine 0 C--N 1.338 0.674 0 N-CA-C 111.642 -0.583 . . . . 0.0 111.642 174.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.9 m -68.44 -36.73 79.45 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.349 0.66 . . . . 0.0 110.583 175.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.77 -48.95 74.88 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.425 0.69 . . . . 0.0 110.09 176.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -61.04 -41.26 96.25 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.653 1.181 . . . . 0.0 110.836 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -62.66 -39.72 94.78 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.454 0.702 . . . . 0.0 109.559 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.27 -42.01 96.44 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.513 176.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.453 HD12 HD22 ' A' ' 48' ' ' LEU . 35.4 mt -67.19 -32.77 74.07 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.872 0.869 . . . . 0.0 110.766 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 tt -80.93 -31.69 34.94 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.655 0.782 . . . . 0.0 111.881 177.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -84.41 -60.09 2.18 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-O 121.29 0.567 . . . . 0.0 110.59 -175.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -81.04 -57.84 3.34 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.452 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 135.17 -163.72 24.84 Favored Glycine 0 C--N 1.341 0.806 0 CA-C-N 114.302 -1.317 . . . . 0.0 110.561 -170.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -83.96 24.62 0.89 Allowed 'General case' 0 CA--C 1.565 1.544 0 CA-C-N 117.642 0.721 . . . . 0.0 111.218 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.447 ' O ' HG12 ' A' ' 23' ' ' ILE . 1.8 m-20 -67.93 96.26 0.58 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.611 1.164 . . . . 0.0 109.299 -179.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -50.77 -47.83 59.46 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.854 1.261 . . . . 0.0 112.542 -167.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.9 t -61.98 -44.42 96.78 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.724 0.81 . . . . 0.0 111.64 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.72 -33.23 75.19 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.759 0.424 . . . . 0.0 111.474 -177.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.523 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 10.5 mm -82.03 -39.2 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-O 121.038 0.446 . . . . 0.0 110.294 179.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.97 -39.17 90.15 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.995 0.918 . . . . 0.0 111.693 -176.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -81.11 -23.5 38.35 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.796 0.838 . . . . 0.0 110.915 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.2 ttt -72.27 -59.79 2.56 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.946 0.498 . . . . 0.0 110.67 177.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.3 m -85.62 -48.96 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 122.706 0.403 . . . . 0.0 111.798 -174.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.09 -30.08 32.31 Favored Glycine 0 C--N 1.344 0.974 0 CA-C-O 119.768 -0.462 . . . . 0.0 113.773 -176.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.1 t 61.59 32.44 18.6 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.372 1.069 . . . . 0.0 109.674 -169.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.508 ' HG3' ' H ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -135.24 -178.19 4.99 Favored 'General case' 0 CA--C 1.556 1.193 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.823 -168.44 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.508 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 20.3 m -47.75 148.79 1.43 Allowed 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 126.21 1.804 . . . . 0.0 113.412 -179.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.1 p -50.9 -31.21 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 C-N-CA 124.996 1.318 . . . . 0.0 112.829 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.2 m -57.39 -32.86 67.24 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.114 1.366 . . . . 0.0 112.504 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.77 -55.22 37.02 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.242 1.017 . . . . 0.0 111.655 -173.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.523 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 34.6 t -70.55 -29.45 65.91 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 120.984 0.421 . . . . 0.0 111.191 -178.178 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -72.07 -33.84 68.25 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.566 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -78.03 -22.01 49.87 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.069 0.548 . . . . 0.0 111.095 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.44 ' HZ ' ' HE1' ' A' ' 6' ' ' MET . 43.2 t80 -65.16 -30.92 71.88 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.057 0.543 . . . . 0.0 110.36 170.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.51 ' HE1' ' HG ' ' A' ' 48' ' ' LEU . 16.2 t80 -63.41 -28.76 70.2 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.702 0.801 . . . . 0.0 112.713 -171.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -84.92 -23.62 28.77 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.654 0.781 . . . . 0.0 110.522 -178.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -103.13 154.74 18.99 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.723 0.809 . . . . 0.0 110.064 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 66.84 -10.13 0.32 Allowed 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 124.703 1.201 . . . . 0.0 113.882 175.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -65.7 -11.01 41.6 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.164 0.986 . . . . 0.0 112.74 -175.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -49.19 -51.58 31.94 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.039 1.336 . . . . 0.0 111.631 173.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -113.26 -14.89 12.79 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.7 0.8 . . . . 0.0 111.623 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.44 96.22 5.32 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -179.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -76.72 88.49 3.37 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 172.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.51 ' HG ' ' HE1' ' A' ' 39' ' ' TYR . 3.3 tm? -65.24 -35.75 82.01 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.817 171.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -59.26 -33.74 71.4 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.512 178.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -64.15 -53.61 46.74 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.456 0.702 . . . . 0.0 109.918 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.2 mt -58.23 -49.43 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.381 -174.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -73.99 -41.61 61.66 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 114.657 -1.156 . . . . 0.0 111.728 -174.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -63.8 -42.53 97.7 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 122.715 0.406 . . . . 0.0 110.84 -177.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -68.02 -45.88 72.77 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.266 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -59.77 -40.84 89.57 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 122.459 0.304 . . . . 0.0 110.372 174.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -59.66 -54.46 46.2 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.415 1.086 . . . . 0.0 111.431 -176.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 pp -74.9 -30.18 61.21 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -175.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.524 ' HA ' ' HE3' ' A' ' 61' ' ' LYS . 67.1 mttm -66.51 -47.69 72.16 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 122.641 0.376 . . . . 0.0 110.254 176.095 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 51.9 ttp -67.41 -34.77 77.95 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 114.966 -1.016 . . . . 0.0 111.017 -177.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -74.74 -44.54 49.31 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.535 0.734 . . . . 0.0 110.758 -173.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.524 ' HE3' ' HA ' ' A' ' 58' ' ' LYS . 22.5 pttp -65.89 -39.19 90.4 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.68 0.392 . . . . 0.0 111.198 -175.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.88 -23.89 52.59 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.8 177.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -64.13 -48.58 75.53 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 176.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -59.97 -40.97 90.89 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.513 0.325 . . . . 0.0 110.79 176.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.73 -35.88 81.16 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.552 0.741 . . . . 0.0 112.168 -178.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -87.14 -6.71 58.55 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 122.842 0.457 . . . . 0.0 111.416 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -106.99 16.34 24.34 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.078 0.551 . . . . 0.0 111.852 177.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -130.09 111.36 12.39 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 121.389 0.614 . . . . 0.0 111.234 176.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -107.57 52.76 0.71 Allowed 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 168.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.0 85.18 1.78 Allowed 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.158 -0.928 . . . . 0.0 108.623 -177.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.2 tptt . . . . . 0 CA--C 1.55 0.943 0 CA-C-N 114.319 -1.309 . . . . 0.0 108.791 -178.486 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 75.1 m95 . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.9 m -76.17 170.28 16.6 Favored 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 124.438 1.095 . . . . 0.0 109.481 171.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -61.72 -21.57 64.61 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -171.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -72.18 -51.74 19.8 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.845 0.858 . . . . 0.0 110.916 -176.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -77.7 -29.69 51.45 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.618 0.767 . . . . 0.0 110.321 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 45.5 tpp -59.14 -38.06 78.77 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.067 0.947 . . . . 0.0 109.862 168.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.77 -28.07 59.72 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-N 115.184 -0.917 . . . . 0.0 113.307 177.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 m -72.29 -33.16 67.21 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.101 0.561 . . . . 0.0 109.638 173.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.79 -29.36 50.8 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.957 0.903 . . . . 0.0 110.755 175.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.529 ' HG2' HD11 ' A' ' 51' ' ' ILE . 4.9 tmtm? -63.86 -47.58 80.16 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.666 0.786 . . . . 0.0 108.969 172.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -63.68 -41.58 98.13 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.756 1.222 . . . . 0.0 110.785 176.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.84 -58.88 8.27 Favored Glycine 0 C--N 1.343 0.95 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.124 -178.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.5 mt -59.61 -30.29 68.58 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.205 1.002 . . . . 0.0 110.771 -179.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 tt -60.93 -61.76 2.35 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 172.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -67.92 -59.94 2.89 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.548 0.739 . . . . 0.0 110.703 -170.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.42 ' HB2' HD13 ' A' ' 23' ' ' ILE . 76.8 m-70 -64.89 -25.61 67.97 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 115.201 -0.908 . . . . 0.0 111.52 -176.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.34 63.61 2.34 Favored Glycine 0 C--N 1.352 1.423 0 O-C-N 123.159 0.287 . . . . 0.0 112.634 175.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 56.6 24.07 8.39 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.334 1.454 . . . . 0.0 113.611 177.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.469 ' O ' HG12 ' A' ' 23' ' ' ILE . 6.8 m-80 -77.61 84.47 3.98 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 174.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.511 ' HE3' ' SG ' ' A' ' 35' ' ' CYS . 68.5 m95 -55.46 -31.47 61.99 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.758 1.223 . . . . 0.0 112.207 -169.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.3 t -63.9 -50.33 69.17 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.338 0.655 . . . . 0.0 110.078 176.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.72 -34.47 77.24 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.47 -178.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.519 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 20.1 mm -78.66 -41.98 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.319 0.648 . . . . 0.0 110.072 -176.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.74 -31.0 71.15 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.951 178.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.8 mtp85 -82.03 -38.14 25.44 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.688 0.795 . . . . 0.0 111.252 175.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.1 ttt -71.04 -62.61 1.33 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.154 0.582 . . . . 0.0 111.373 -175.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.3 m -89.77 -36.89 9.05 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 C-N-CA 123.568 0.747 . . . . 0.0 112.134 -177.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.37 -36.96 13.0 Favored Glycine 0 C--N 1.348 1.232 0 CA-C-N 115.879 -0.6 . . . . 0.0 113.992 -175.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 t 66.64 31.45 7.71 Favored 'General case' 0 CA--C 1.561 1.4 0 C-N-CA 124.673 1.189 . . . . 0.0 111.513 -176.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.468 ' HG2' ' H ' ' A' ' 31' ' ' THR . 64.4 tttt -157.91 -170.14 3.07 Favored 'General case' 0 CA--C 1.565 1.53 0 C-N-CA 123.243 0.617 . . . . 0.0 110.424 -175.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.468 ' H ' ' HG2' ' A' ' 30' ' ' LYS . 16.4 m -61.93 157.09 19.27 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.653 1.181 . . . . 0.0 113.303 -174.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.6 t -44.66 -36.31 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 C-N-CA 126.131 1.772 . . . . 0.0 112.93 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.2 t -48.94 -44.46 40.6 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.053 1.341 . . . . 0.0 112.455 -179.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -62.8 -37.58 87.3 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.215 0.606 . . . . 0.0 112.092 -175.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.519 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 49.3 t -71.25 -28.27 64.05 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 120.804 0.335 . . . . 0.0 110.79 177.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -71.48 -49.11 44.5 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.173 0.589 . . . . 0.0 111.634 177.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -73.13 -21.6 60.69 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.814 0.445 . . . . 0.0 111.073 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -58.13 -41.34 83.47 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.509 1.124 . . . . 0.0 110.854 170.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -63.13 -32.35 73.71 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.124 -173.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -92.43 177.34 6.16 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.18 0.992 . . . . 0.0 109.728 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 78.31 -52.33 0.49 Allowed 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 125.445 1.498 . . . . 0.0 112.126 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -87.19 179.0 6.72 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.591 0.757 . . . . 0.0 110.816 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -73.47 89.23 1.65 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 122.817 0.447 . . . . 0.0 110.695 -177.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -90.42 46.19 1.32 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.258 0.623 . . . . 0.0 109.83 173.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -79.01 72.05 5.5 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.037 0.935 . . . . 0.0 110.134 -176.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 43.97 20.09 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.954 0 C-N-CA 127.006 2.122 . . . . 0.0 115.22 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -71.57 -57.92 3.96 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -177.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.466 ' HA ' HD12 ' A' ' 51' ' ' ILE . 2.5 tm? -67.13 -28.55 68.23 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.626 0.77 . . . . 0.0 110.45 179.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -60.33 -42.38 95.54 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.367 0.667 . . . . 0.0 110.747 176.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 37.5 tt0 -68.42 -50.14 54.85 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.044 176.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.529 HD11 ' HG2' ' A' ' 10' ' ' LYS . 95.0 mt -50.59 -44.47 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 C-N-CA 124.346 1.058 . . . . 0.0 111.258 -178.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.17 -44.19 69.28 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.484 -177.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -66.64 -38.52 87.08 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.086 -178.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 79.7 mm-40 -69.3 -45.61 69.16 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -59.31 -36.35 75.46 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 122.857 0.463 . . . . 0.0 110.67 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -62.76 -55.69 24.26 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 123.73 0.644 . . . . 0.0 110.515 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 pp -71.72 -32.35 67.68 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 123.604 0.565 . . . . 0.0 111.868 -173.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -65.15 -55.87 16.16 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.358 0.663 . . . . 0.0 109.379 176.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 45.3 ttp -54.73 -45.75 74.15 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 124.35 1.031 . . . . 0.0 110.972 178.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -61.37 -47.99 83.33 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.632 0.773 . . . . 0.0 111.437 -173.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -73.9 -41.59 61.92 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.36 -174.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.5 -32.33 66.09 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 120.638 0.256 . . . . 0.0 110.858 -177.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -72.47 -39.47 67.7 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.616 177.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -70.57 -29.0 65.32 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 122.964 0.506 . . . . 0.0 110.609 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.49 -27.62 31.67 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.708 0.803 . . . . 0.0 111.921 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -85.41 -25.4 27.02 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 122.557 0.343 . . . . 0.0 110.13 174.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.3 mmm180 -76.3 -19.56 58.14 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 165.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 84.5 tttt 69.0 28.07 5.22 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 124.987 1.315 . . . . 0.0 111.251 165.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -117.81 -173.5 2.45 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.548 0.739 . . . . 0.0 110.88 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? 64.84 79.08 0.26 Allowed 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.516 1.526 . . . . 0.0 109.42 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.161 0 C-N-CA 124.417 1.087 . . . . 0.0 109.943 177.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 66.2 m95 . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.5 m -69.8 161.58 29.56 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.943 0.897 . . . . 0.0 109.406 172.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -53.27 -35.54 60.16 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.035 0.934 . . . . 0.0 112.318 -173.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -60.55 -56.96 15.05 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.286 0.634 . . . . 0.0 111.378 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -74.12 -30.67 62.43 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.795 0.838 . . . . 0.0 111.228 -176.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 48.6 tpp -60.45 -43.72 96.59 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.309 1.044 . . . . 0.0 109.779 172.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.68 -28.25 65.62 Favored Glycine 0 C--N 1.351 1.391 0 CA-C-N 114.941 -1.027 . . . . 0.0 112.956 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.4 m -69.93 -42.44 73.26 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.052 0.541 . . . . 0.0 109.806 175.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.17 -54.23 40.88 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.518 177.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -49.43 -44.84 45.78 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.402 1.481 . . . . 0.0 111.805 175.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -62.19 -50.77 70.46 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.854 0.722 . . . . 0.0 110.683 -178.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.57 -31.2 79.96 Favored Glycine 0 C--N 1.346 1.128 0 O-C-N 124.063 0.852 . . . . 0.0 113.45 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.465 HD13 HD23 ' A' ' 48' ' ' LEU . 78.3 mt -78.31 -33.72 49.17 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.828 0.851 . . . . 0.0 110.697 179.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 tt -76.67 -25.94 54.24 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.49 0.716 . . . . 0.0 109.498 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -90.81 -63.03 1.33 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.378 0.671 . . . . 0.0 111.798 -176.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -82.1 -51.22 8.21 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.809 0.844 . . . . 0.0 110.324 -175.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.75 92.76 1.09 Allowed Glycine 0 C--N 1.343 0.956 0 CA-C-N 115.866 -0.606 . . . . 0.0 113.488 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 67.68 7.47 5.69 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 170.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.496 ' O ' HG12 ' A' ' 23' ' ' ILE . 19.5 m120 -79.93 77.13 6.62 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.576 ' HE3' ' SG ' ' A' ' 35' ' ' CYS . 14.2 m95 -56.1 -29.14 60.18 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.25 1.02 . . . . 0.0 112.045 -170.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.415 ' HA ' HG23 ' A' ' 32' ' ' VAL . 29.0 p -59.41 -51.72 68.67 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.887 0.875 . . . . 0.0 110.759 175.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.33 -40.05 81.74 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.234 -0.893 . . . . 0.0 111.126 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.63 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 18.3 mm -68.31 -41.77 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 O-C-N 123.499 0.499 . . . . 0.0 110.113 -175.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.11 -34.02 77.09 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.436 0.694 . . . . 0.0 111.543 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -79.75 -24.5 41.52 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.952 176.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.8 ttt -73.33 -55.79 5.94 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.481 0.712 . . . . 0.0 110.62 178.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 23' ' ' ILE . 28.6 m -85.64 -52.0 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 122.976 0.51 . . . . 0.0 111.621 -177.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.99 -37.1 11.84 Favored Glycine 0 C--N 1.341 0.832 0 CA-C-O 119.918 -0.379 . . . . 0.0 113.412 -174.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.7 t 64.31 21.48 12.52 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.287 1.035 . . . . 0.0 109.81 -163.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -120.99 -166.42 1.34 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.722 1.209 . . . . 0.0 110.144 -171.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 86.9 m -64.77 157.6 27.13 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 124.767 1.227 . . . . 0.0 111.895 179.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.415 HG23 ' HA ' ' A' ' 21' ' ' SER . 81.3 t -49.25 -30.0 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 C-N-CA 125.351 1.461 . . . . 0.0 112.725 179.063 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.4 m -46.83 -47.83 21.01 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.434 1.494 . . . . 0.0 112.331 178.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -61.12 -33.15 72.92 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 124.076 0.951 . . . . 0.0 112.863 -175.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.63 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 50.1 t -74.82 -37.56 62.26 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.055 0.455 . . . . 0.0 110.639 177.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -69.31 -28.24 66.09 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.949 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.03 -53.67 55.72 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.453 0.701 . . . . 0.0 109.87 174.07 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -50.84 -40.0 54.78 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.596 0.758 . . . . 0.0 111.789 177.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -63.12 -33.52 75.64 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.389 -173.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -111.75 7.18 20.18 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.459 0.704 . . . . 0.0 111.958 -177.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -109.1 20.94 17.8 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.346 0.658 . . . . 0.0 111.508 178.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -141.91 139.23 32.49 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 177.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -136.98 110.56 8.01 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.425 0.69 . . . . 0.0 110.219 -175.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 83.2 tttt 179.76 163.32 1.01 Allowed 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.017 1.327 . . . . 0.0 107.976 176.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.9 ttt85 -65.63 -45.72 81.99 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 118.79 0.723 . . . . 0.0 109.465 168.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -71.69 80.66 0.84 Allowed 'General case' 0 C--N 1.351 0.672 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.663 174.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -139.65 -165.33 1.85 Allowed 'General case' 0 C--O 1.244 0.779 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.771 -178.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.465 HD23 HD13 ' A' ' 13' ' ' LEU . 2.8 tm? -51.24 -33.92 30.16 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.173 0.989 . . . . 0.0 111.922 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -50.72 -54.97 18.89 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.787 0.835 . . . . 0.0 112.281 -178.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 12.3 pt-20 -84.17 -21.96 31.14 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 118.998 -0.525 . . . . 0.0 112.114 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.73 -38.26 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 CA-C-O 121.312 0.577 . . . . 0.0 109.878 173.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.93 -30.07 39.87 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.384 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.402 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 23.2 tp60 -59.52 -41.43 89.96 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 170.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 87.3 mm-40 -62.83 -53.71 50.11 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 123.857 0.723 . . . . 0.0 109.914 174.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -50.94 -38.13 48.45 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.319 0.647 . . . . 0.0 111.364 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -67.12 -62.31 1.49 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.636 0.774 . . . . 0.0 110.248 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 pp -68.42 -31.9 71.57 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 123.584 0.553 . . . . 0.0 112.251 -168.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -65.32 -54.47 28.6 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.697 0.799 . . . . 0.0 111.32 -176.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 65.0 ttp -69.24 -37.85 78.2 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.587 0.555 . . . . 0.0 110.191 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -65.58 -47.9 74.21 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.161 0.584 . . . . 0.0 110.906 -174.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.423 ' HB2' ' HZ3' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -68.37 -38.87 81.79 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.896 0.478 . . . . 0.0 111.398 -174.192 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -77.45 -26.54 51.6 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 123.389 0.431 . . . . 0.0 110.291 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -71.8 -44.48 63.88 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 122.967 0.507 . . . . 0.0 109.738 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.497 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 68.1 m-80 -61.19 -44.4 97.35 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 173.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.7 97.61 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 124.062 0.851 . . . . 0.0 112.442 -177.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -76.98 -29.54 55.55 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 122.68 0.392 . . . . 0.0 111.744 -174.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -73.37 -53.13 11.49 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 122.889 0.475 . . . . 0.0 110.952 -177.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 64' ' ' ASN . 22.3 pttp -93.77 16.86 13.06 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 122.823 0.449 . . . . 0.0 111.621 -176.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -59.46 102.0 0.12 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.677 0.791 . . . . 0.0 111.182 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -161.34 131.29 4.89 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 124.271 1.029 . . . . 0.0 108.751 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt . . . . . 0 CA--C 1.559 1.299 0 C-N-CA 123.267 0.627 . . . . 0.0 109.94 177.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 37.6 m95 . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.1 m -68.81 153.11 44.37 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.42 0.688 . . . . 0.0 109.782 171.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.518 ' HA ' ' HB2' ' A' ' 6' ' ' MET . 45.2 mt-10 -53.5 -19.64 3.93 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.118 0.967 . . . . 0.0 113.419 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -63.48 -57.14 11.17 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.535 0.734 . . . . 0.0 110.87 176.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 pm0 -76.98 -28.64 55.19 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.051 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.518 ' HB2' ' HA ' ' A' ' 3' ' ' GLU . 87.9 mmm -61.89 -38.46 88.4 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.975 0.51 . . . . 0.0 110.777 172.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.16 -40.95 71.03 Favored Glycine 0 C--N 1.345 1.047 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.317 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.5 m -68.67 -30.61 69.33 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.225 0.61 . . . . 0.0 110.671 176.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.0 -48.97 40.92 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.282 0.633 . . . . 0.0 109.422 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -57.31 -40.78 78.6 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.575 1.15 . . . . 0.0 110.463 175.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -63.59 -44.62 93.48 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.633 0.773 . . . . 0.0 109.623 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -60.57 -39.64 96.74 Favored Glycine 0 C--N 1.344 1.02 0 O-C-N 123.812 0.695 . . . . 0.0 112.524 177.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.462 HD12 HD23 ' A' ' 48' ' ' LEU . 26.4 mt -76.67 -26.48 54.84 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 123.892 0.877 . . . . 0.0 110.599 -178.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.8 tp -80.23 -24.77 39.96 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.298 1.039 . . . . 0.0 111.952 173.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -108.86 -64.18 1.26 Allowed 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.486 0.714 . . . . 0.0 111.502 -173.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -77.09 -16.59 59.15 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.734 0.814 . . . . 0.0 110.799 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.93 -147.63 23.95 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-N 115.77 -0.65 . . . . 0.0 113.16 175.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -82.41 -2.19 52.35 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.09 0.956 . . . . 0.0 111.734 -173.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.494 ' O ' HG12 ' A' ' 23' ' ' ILE . 56.9 t-20 -62.97 92.06 0.05 OUTLIER 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.642 0.777 . . . . 0.0 109.447 -176.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -57.52 -30.76 65.43 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.908 0.883 . . . . 0.0 111.283 -174.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.2 t -66.79 -44.71 80.56 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.489 0.715 . . . . 0.0 110.223 177.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.9 -35.59 77.03 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.743 0.417 . . . . 0.0 111.525 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.506 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 11.5 mm -75.76 -42.55 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -178.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.66 -30.63 71.65 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.076 0.551 . . . . 0.0 110.625 177.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -77.27 -31.74 55.08 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.097 0.959 . . . . 0.0 110.547 177.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.2 ttt -78.0 -63.51 1.37 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.621 0.768 . . . . 0.0 111.656 -178.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.407 HG21 ' O ' ' A' ' 23' ' ' ILE . 18.8 m -88.4 -37.49 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 123.363 0.665 . . . . 0.0 112.2 -174.217 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.21 -27.48 44.34 Favored Glycine 0 C--N 1.344 1.011 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.638 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.8 t 63.85 18.41 11.14 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 124.834 1.254 . . . . 0.0 111.058 -174.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.45 ' HG2' ' H ' ' A' ' 31' ' ' THR . 57.3 tttt -137.61 -173.33 3.46 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.647 0.779 . . . . 0.0 110.342 -169.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.45 ' H ' ' HG2' ' A' ' 30' ' ' LYS . 7.2 m -73.83 160.19 31.8 Favored 'General case' 0 CA--C 1.57 1.745 0 C-N-CA 123.89 0.876 . . . . 0.0 112.172 -174.17 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.3 p -44.89 -32.48 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 C-N-CA 126.698 1.999 . . . . 0.0 115.655 -167.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.6 t -55.44 -33.46 63.6 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.626 0.77 . . . . 0.0 112.103 -174.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -56.96 -52.78 63.87 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 122.908 0.483 . . . . 0.0 112.186 -177.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.506 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 42.5 t -81.9 -31.87 31.21 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -175.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -68.34 -38.95 81.99 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -69.74 -38.05 76.68 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 119.163 -0.446 . . . . 0.0 110.258 173.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -54.25 -29.17 45.85 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.457 0.703 . . . . 0.0 111.725 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -63.73 -32.53 74.05 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 122.802 0.441 . . . . 0.0 111.531 -177.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -100.07 -36.82 9.22 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.27 1.028 . . . . 0.0 110.463 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -60.68 -39.26 87.77 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.652 1.181 . . . . 0.0 110.097 177.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -80.58 98.97 7.86 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 106.121 -1.807 . . . . 0.0 106.121 162.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -71.65 88.2 0.96 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.364 0.666 . . . . 0.0 110.467 -165.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm 28.68 74.01 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 127.14 2.176 . . . . 0.0 114.292 173.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -150.04 -1.73 0.41 Allowed 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.741 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -87.88 145.78 25.89 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 123.552 0.741 . . . . 0.0 109.364 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -91.65 34.5 0.98 Allowed 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.492 0.717 . . . . 0.0 110.832 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.462 HD23 HD12 ' A' ' 13' ' ' LEU . 2.8 tm? -58.27 -33.62 69.61 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.911 1.285 . . . . 0.0 111.184 -177.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -54.45 -43.28 71.49 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.285 176.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -79.35 -37.25 37.91 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.039 0.536 . . . . 0.0 111.223 177.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.1 mt -57.87 -40.29 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 C-N-CA 123.016 0.526 . . . . 0.0 110.617 -177.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -75.23 -33.14 61.32 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.715 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.445 ' HG3' HD23 ' A' ' 57' ' ' LEU . 60.8 tp60 -66.98 -44.04 81.46 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 178.026 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -64.57 -42.46 95.63 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.795 0.838 . . . . 0.0 109.74 177.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -54.28 -44.64 72.05 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.69 0.619 . . . . 0.0 110.43 175.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -68.56 -61.42 1.83 Allowed 'General case' 0 CA--C 1.542 0.654 0 O-C-N 123.851 0.719 . . . . 0.0 111.634 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.445 HD23 ' HG3' ' A' ' 53' ' ' GLN . 4.3 pp -64.28 -32.56 74.21 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.105 0.562 . . . . 0.0 112.043 -168.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -76.13 -35.63 59.16 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.232 0.613 . . . . 0.0 110.834 177.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 49.0 tpp -63.73 -53.46 50.82 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -64.4 -28.75 69.9 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.011 0.924 . . . . 0.0 111.43 -178.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -64.44 -57.03 10.43 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.349 0.659 . . . . 0.0 110.433 177.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.87 -30.24 65.21 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.465 -178.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.4 ttp85 -74.68 -39.23 62.12 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.297 0.639 . . . . 0.0 109.879 -175.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -75.23 -27.34 59.48 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.672 0.389 . . . . 0.0 110.212 176.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.25 -33.14 69.53 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.611 0.764 . . . . 0.0 111.773 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -86.15 -26.09 25.37 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.522 0.329 . . . . 0.0 110.684 176.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -79.93 -4.26 51.63 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.073 0.549 . . . . 0.0 111.071 172.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -71.76 96.11 1.58 Allowed 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 176.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -162.84 7.36 0.05 Allowed 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 123.228 0.611 . . . . 0.0 111.752 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -63.36 109.21 1.52 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.056 0.543 . . . . 0.0 111.449 -178.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm . . . . . 0 C--O 1.253 1.274 0 C-N-CA 123.337 0.655 . . . . 0.0 109.786 177.42 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 60.8 m95 . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 120.636 0.255 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 92.0 m -75.14 152.93 38.45 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.096 0.959 . . . . 0.0 109.437 170.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -55.33 -23.83 25.9 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.75 0.82 . . . . 0.0 112.717 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -73.55 -54.61 7.79 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.219 0.608 . . . . 0.0 111.159 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -68.61 -30.3 69.0 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 122.676 0.39 . . . . 0.0 110.552 178.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 47.8 ttm -68.35 -36.34 79.09 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.306 1.042 . . . . 0.0 110.097 174.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.74 -29.09 65.91 Favored Glycine 0 C--N 1.349 1.258 0 CA-C-N 115.338 -0.847 . . . . 0.0 112.758 174.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.5 m -78.58 -29.37 46.15 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.46 0.704 . . . . 0.0 109.747 176.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.497 ' O ' ' HG ' ' A' ' 13' ' ' LEU . . . -68.44 -48.16 65.31 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 173.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -53.45 -41.47 66.16 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 124.725 1.265 . . . . 0.0 110.518 172.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -64.29 -41.57 96.81 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.657 0.783 . . . . 0.0 110.599 177.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.16 -34.9 89.58 Favored Glycine 0 C--N 1.342 0.89 0 O-C-N 123.415 0.447 . . . . 0.0 113.043 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 9' ' ' ALA . 36.9 mt -76.12 -27.62 57.14 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.635 0.774 . . . . 0.0 109.909 177.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.1 tp -78.37 -26.36 46.6 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.204 1.002 . . . . 0.0 111.24 173.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -91.73 -63.21 1.28 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.567 0.747 . . . . 0.0 111.083 -174.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -90.83 -43.31 10.13 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.149 0.98 . . . . 0.0 110.68 -177.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.48 -170.29 13.32 Favored Glycine 0 C--O 1.243 0.658 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.746 -168.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.468 ' HG2' HD23 ' A' ' 13' ' ' LEU . 63.7 mtm180 -86.44 53.62 2.87 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.181 0.593 . . . . 0.0 112.093 -177.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.437 ' O ' HG12 ' A' ' 23' ' ' ILE . 19.4 t-20 -86.14 92.13 8.65 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 169.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 43.2 m95 -53.13 -46.13 68.65 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.833 1.253 . . . . 0.0 112.758 -165.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.8 t -67.22 -38.51 85.4 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.266 0.627 . . . . 0.0 111.757 -177.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.76 -41.16 79.25 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 122.723 0.409 . . . . 0.0 111.028 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 19' ' ' ASN . 29.7 mm -74.46 -32.52 30.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.168 -178.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.31 -25.65 61.65 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 122.829 0.451 . . . . 0.0 110.747 175.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -81.97 -29.03 32.36 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.15 0.58 . . . . 0.0 110.149 173.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.1 ttt -72.38 -62.36 1.47 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.207 0.603 . . . . 0.0 110.554 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.424 HG21 ' O ' ' A' ' 23' ' ' ILE . 12.2 m -89.85 -41.34 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.316 0.646 . . . . 0.0 112.286 -174.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.18 -25.89 50.21 Favored Glycine 0 C--N 1.345 1.067 0 CA-C-N 116.033 -0.531 . . . . 0.0 113.092 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.9 t 58.42 31.39 20.9 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.567 1.147 . . . . 0.0 110.613 -175.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.498 ' HG3' ' H ' ' A' ' 31' ' ' THR . 9.2 tppt? -148.8 -165.02 2.16 Favored 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 123.549 0.74 . . . . 0.0 109.457 -169.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.498 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 10.2 t -72.11 165.2 24.8 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.65 0.78 . . . . 0.0 112.513 -176.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.1 p -46.48 -35.55 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 C-N-CA 125.963 1.705 . . . . 0.0 113.976 -177.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.4 t -50.75 -36.93 39.11 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.752 1.221 . . . . 0.0 112.865 -172.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -65.3 -45.88 82.63 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.97 0.508 . . . . 0.0 112.171 -173.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 44.7 t -80.73 -37.9 29.73 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.316 0.247 . . . . 0.0 111.143 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -73.69 -49.23 26.8 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.699 0.4 . . . . 0.0 111.029 -171.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -68.16 -32.71 73.16 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 119.17 -0.443 . . . . 0.0 110.964 177.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -56.67 -42.45 79.03 Favored 'General case' 0 N--CA 1.483 1.223 0 O-C-N 123.229 0.331 . . . . 0.0 110.86 171.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -77.95 -38.31 45.55 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.555 -174.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -74.62 -24.17 58.81 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.293 0.637 . . . . 0.0 110.886 -179.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -104.92 -175.16 2.71 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.552 1.141 . . . . 0.0 109.687 172.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 50.4 t80 55.72 73.11 0.45 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.308 1.043 . . . . 0.0 110.504 177.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -63.1 162.43 11.65 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.872 0.869 . . . . 0.0 112.102 -173.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? 68.1 32.63 4.84 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.639 1.176 . . . . 0.0 110.905 -172.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.65 ' H ' ' HD3' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -89.44 11.96 17.77 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 114.662 -1.154 . . . . 0.0 109.443 163.358 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -67.74 -10.6 53.97 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.559 1.544 . . . . 0.0 112.602 -178.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -61.13 -37.42 82.74 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.891 0.877 . . . . 0.0 110.331 169.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.524 ' HA ' HD12 ' A' ' 51' ' ' ILE . 2.9 tm? -64.52 -30.09 71.12 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.577 0.751 . . . . 0.0 111.012 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -54.06 -41.08 67.75 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.192 0.597 . . . . 0.0 111.259 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 34.2 tt0 -67.01 -49.08 66.44 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.538 175.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 48' ' ' LEU . 77.7 mt -56.63 -39.86 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 C-N-CA 124.778 1.231 . . . . 0.0 111.439 -176.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -69.91 -41.29 74.87 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.423 -178.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -63.1 -36.15 82.63 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.393 175.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 85.0 mm-40 -63.52 -46.5 85.75 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 123.398 0.437 . . . . 0.0 109.835 -179.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -52.13 -42.53 63.39 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.755 0.822 . . . . 0.0 111.227 174.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -66.57 -52.31 46.88 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.706 0.803 . . . . 0.0 111.851 -178.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 pp -72.85 -27.06 61.7 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -172.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.407 ' HE2' ' HB3' ' A' ' 54' ' ' GLN . 65.9 mttm -65.72 -48.42 72.0 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 174.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 48.7 ttm -66.41 -36.04 81.83 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 124.296 0.998 . . . . 0.0 111.245 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -67.39 -48.11 68.33 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.018 0.927 . . . . 0.0 111.431 -178.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 pttm -65.11 -39.58 93.32 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.478 0.711 . . . . 0.0 110.556 -174.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -81.02 -28.92 35.25 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.268 0.627 . . . . 0.0 110.706 -173.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.0 ttm105 -66.45 -49.55 66.3 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 123.745 0.653 . . . . 0.0 109.713 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -66.91 -40.52 87.72 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.853 178.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.53 -44.86 81.24 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.287 0.635 . . . . 0.0 111.438 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -79.0 -38.6 36.27 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.271 -177.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -87.13 -1.25 57.75 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -173.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -106.77 11.47 30.16 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.147 0.579 . . . . 0.0 111.055 172.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -63.86 102.59 0.48 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 122.6 0.36 . . . . 0.0 110.317 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -132.25 -0.25 3.69 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.173 0.989 . . . . 0.0 111.525 -177.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? . . . . . 0 C--O 1.25 1.122 0 C-N-CA 123.353 0.661 . . . . 0.0 109.4 179.847 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 98.6 m95 . . . . . 0 N--CA 1.478 0.948 0 CA-C-O 120.786 0.327 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 48.0 m -92.79 165.1 13.09 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.227 1.011 . . . . 0.0 108.676 169.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.499 ' HA ' ' HB3' ' A' ' 6' ' ' MET . 40.3 tt0 -51.27 -25.29 5.48 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 124.713 1.205 . . . . 0.0 113.329 -178.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -63.5 -56.53 15.34 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.031 0.932 . . . . 0.0 111.176 -178.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -77.94 -29.33 49.9 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.18 0.592 . . . . 0.0 111.085 176.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.499 ' HB3' ' HA ' ' A' ' 3' ' ' GLU . 31.4 tpp -62.93 -33.28 75.02 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 123.99 0.916 . . . . 0.0 110.452 176.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.82 -30.97 50.78 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-N 115.587 -0.733 . . . . 0.0 113.01 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.8 m -74.28 -34.75 63.65 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.348 0.659 . . . . 0.0 109.927 174.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.78 -37.2 76.26 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.346 0.658 . . . . 0.0 110.108 174.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.488 ' HG2' HD13 ' A' ' 51' ' ' ILE . 1.4 tmtp? -58.96 -47.86 83.6 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.545 1.138 . . . . 0.0 109.622 172.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -64.2 -36.23 83.38 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 124.33 1.019 . . . . 0.0 110.498 -178.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.6 -46.33 90.39 Favored Glycine 0 C--N 1.345 1.058 0 O-C-N 123.748 0.655 . . . . 0.0 112.262 175.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.5 mt -70.64 -24.17 62.67 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 123.737 0.815 . . . . 0.0 110.89 179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.0 tp -77.03 -37.71 54.31 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.74 0.816 . . . . 0.0 111.219 175.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -89.35 -63.61 1.26 Allowed 'General case' 0 N--CA 1.478 0.969 0 CA-C-O 121.215 0.531 . . . . 0.0 110.663 -176.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -73.38 -38.55 65.63 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.796 -176.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.54 -162.79 16.58 Favored Glycine 0 C--N 1.338 0.67 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.173 -172.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -79.26 36.77 0.3 Allowed 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.69 0.796 . . . . 0.0 112.083 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.425 ' O ' HG12 ' A' ' 23' ' ' ILE . 71.4 m-20 -77.95 79.27 4.42 Favored 'General case' 0 C--N 1.346 0.452 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 172.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.488 ' HE3' ' SG ' ' A' ' 35' ' ' CYS . 72.6 m95 -56.15 -36.15 67.96 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.17 0.988 . . . . 0.0 112.28 -168.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.0 p -62.71 -43.1 99.67 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.417 0.687 . . . . 0.0 111.105 175.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.3 -35.82 71.42 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.097 0.559 . . . . 0.0 111.456 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.431 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 22.2 mm -74.33 -39.02 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.33 -28.53 68.74 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.973 175.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -31.82 53.32 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.343 0.657 . . . . 0.0 110.457 176.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.4 ttt -77.25 -62.63 1.59 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.651 0.78 . . . . 0.0 111.403 -175.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 23' ' ' ILE . 22.1 m -88.06 -37.97 11.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 122.96 0.504 . . . . 0.0 111.651 -173.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.77 -41.85 8.61 Favored Glycine 0 C--N 1.345 1.036 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.802 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.1 t 59.43 26.61 15.57 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.66 1.184 . . . . 0.0 110.013 -165.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -127.4 -175.41 3.44 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.213 1.405 . . . . 0.0 110.239 -174.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 56.9 m -61.92 155.37 23.7 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.082 0.953 . . . . 0.0 111.66 -179.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.2 p -48.48 -33.56 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 C-N-CA 124.566 1.146 . . . . 0.0 112.616 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.3 m -49.15 -35.84 17.71 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.304 1.442 . . . . 0.0 112.59 177.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -59.7 -52.13 66.83 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.882 0.873 . . . . 0.0 111.069 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.488 ' SG ' ' HE3' ' A' ' 20' ' ' TRP . 41.5 t -75.12 -25.99 58.86 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 122.675 0.39 . . . . 0.0 111.402 -179.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -65.81 -61.07 2.27 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 122.649 0.38 . . . . 0.0 111.359 178.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -66.83 -28.69 68.56 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.702 0.401 . . . . 0.0 110.644 -176.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -48.53 -43.61 35.52 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.574 1.15 . . . . 0.0 111.155 170.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -70.92 -23.71 62.31 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.884 -173.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -88.67 -32.83 17.82 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.342 0.657 . . . . 0.0 110.065 175.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -83.82 123.43 29.9 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.525 0.73 . . . . 0.0 112.126 -172.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 17.4 t80 70.63 20.49 5.72 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 125.436 1.494 . . . . 0.0 112.269 170.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -85.71 75.74 10.04 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 121.49 0.662 . . . . 0.0 109.819 174.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -81.5 -45.94 15.22 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 167.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -97.68 141.8 30.26 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.934 164.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -141.6 93.76 2.6 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 170.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -101.39 21.16 14.6 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.411 173.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -79.59 -26.3 41.31 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 122.801 0.441 . . . . 0.0 109.951 -176.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -64.0 -43.12 96.64 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.418 176.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -72.13 -31.72 66.26 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.304 0.242 . . . . 0.0 110.446 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.488 HD13 ' HG2' ' A' ' 10' ' ' LYS . 86.0 mt -62.72 -45.92 97.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.764 0.826 . . . . 0.0 110.471 177.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -77.96 -25.82 48.44 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.642 178.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -65.25 -53.64 41.31 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.451 0.7 . . . . 0.0 109.692 177.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -67.42 -42.66 82.86 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.005 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -61.62 -31.38 71.46 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.337 0.398 . . . . 0.0 111.519 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.542 ' HZ1' ' HB2' ' A' ' 56' ' ' LYS . 4.0 ttmp? -72.56 -54.54 8.89 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.814 0.446 . . . . 0.0 111.066 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 pp -69.74 -26.81 64.5 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.221 0.326 . . . . 0.0 111.185 -177.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.501 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 54.9 mtpt -73.86 -40.53 63.19 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.907 0.483 . . . . 0.0 110.331 173.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 50.6 tpp -60.77 -34.38 74.38 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 123.608 0.568 . . . . 0.0 109.706 175.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -70.67 -48.74 53.31 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.604 175.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.501 ' HG2' ' HA ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.63 -34.4 75.69 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 117.865 0.302 . . . . 0.0 111.164 -173.293 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.9 -39.71 49.98 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.606 0.362 . . . . 0.0 110.72 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -69.33 -36.17 76.68 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.446 0.699 . . . . 0.0 110.481 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -68.33 -42.86 78.73 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.591 0.757 . . . . 0.0 109.842 177.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.21 -43.77 98.34 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.881 0.872 . . . . 0.0 112.079 -177.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -83.98 -3.93 58.36 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.976 -175.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -126.12 32.42 5.24 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.578 0.751 . . . . 0.0 111.174 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -81.68 -11.76 58.94 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 175.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.635 ' HB2' ' HZ1' ' A' ' 69' ' ' LYS . 9.2 mtmp? -73.73 88.53 1.75 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.248 0.619 . . . . 0.0 109.917 -179.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -153.79 138.19 16.73 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.124 0.57 . . . . 0.0 109.946 -175.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt . . . . . 0 CA--C 1.554 1.127 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 175.081 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 69.4 m95 . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m -105.67 168.03 9.37 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 172.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.508 ' HA ' ' HB3' ' A' ' 6' ' ' MET . 33.3 mt-10 -65.12 -18.76 65.58 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -168.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -73.26 -54.8 7.52 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.594 0.758 . . . . 0.0 110.526 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.94 -30.23 68.64 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.422 0.689 . . . . 0.0 110.508 176.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.619 ' HG3' ' HZ ' ' A' ' 38' ' ' PHE . 35.8 ttm -63.93 -34.36 77.78 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.509 1.124 . . . . 0.0 110.901 173.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.08 -41.29 71.04 Favored Glycine 0 C--N 1.35 1.328 0 O-C-N 123.667 0.604 . . . . 0.0 112.446 176.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 m -65.99 -38.29 88.12 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.476 0.71 . . . . 0.0 110.353 177.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.9 -49.19 71.44 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.612 0.765 . . . . 0.0 109.92 177.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -51.25 -41.76 60.57 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.818 1.247 . . . . 0.0 111.317 175.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -62.22 -46.27 89.6 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.26 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.6 -30.3 77.53 Favored Glycine 0 C--N 1.343 0.954 0 O-C-N 123.207 0.317 . . . . 0.0 113.292 177.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.574 HD13 HD11 ' A' ' 48' ' ' LEU . 28.4 mt -79.09 -24.57 43.38 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 124.264 1.026 . . . . 0.0 110.456 178.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 tt -79.51 -31.56 42.22 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.226 1.01 . . . . 0.0 110.21 170.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -84.68 -63.77 1.28 Allowed 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.121 0.968 . . . . 0.0 111.35 -172.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -90.36 -46.67 8.23 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.416 1.086 . . . . 0.0 110.35 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.47 -154.97 16.55 Favored Glycine 0 C--O 1.236 0.277 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.949 -171.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.417 ' HG3' HD11 ' A' ' 52' ' ' LEU . 67.1 mtp180 -78.44 24.48 0.27 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.104 0.962 . . . . 0.0 113.347 -174.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.463 ' O ' HG12 ' A' ' 23' ' ' ILE . 48.7 t-20 -71.43 82.71 0.79 Allowed 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 168.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.418 ' HE3' ' SG ' ' A' ' 35' ' ' CYS . 53.4 m95 -61.0 -26.38 67.55 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.94 0.896 . . . . 0.0 111.352 -172.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.465 ' HA ' HG21 ' A' ' 32' ' ' VAL . 17.5 m -63.43 -48.43 77.8 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.714 0.806 . . . . 0.0 110.57 177.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.74 -36.36 80.42 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.317 0.647 . . . . 0.0 111.183 -178.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.463 HG12 ' O ' ' A' ' 19' ' ' ASN . 9.1 mm -77.54 -44.6 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.932 -174.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.54 -21.13 64.57 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.648 0.779 . . . . 0.0 112.256 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.0 ttm-85 -77.5 -32.68 54.35 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 122.71 0.404 . . . . 0.0 110.427 172.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 62.6 ttp -77.28 -60.38 2.39 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.024 0.53 . . . . 0.0 111.059 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 23' ' ' ILE . 32.0 m -86.11 -41.7 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 123.413 0.685 . . . . 0.0 112.175 -173.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.79 -44.13 7.93 Favored Glycine 0 C--N 1.346 1.102 0 N-CA-C 111.842 -0.503 . . . . 0.0 111.842 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.3 m 60.54 14.77 5.11 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 125.195 1.398 . . . . 0.0 112.186 -171.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -126.7 -86.46 0.6 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.295 0.638 . . . . 0.0 111.324 -171.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.467 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 17.1 m -126.4 142.23 51.61 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.777 0.431 . . . . 0.0 110.716 -165.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.465 HG21 ' HA ' ' A' ' 21' ' ' SER . 62.8 t -67.67 -34.56 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 C-N-CA 123.799 0.84 . . . . 0.0 111.446 -178.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.8 t -57.77 -34.5 69.64 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.47 1.108 . . . . 0.0 113.099 -172.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 31' ' ' THR . 9.8 pt20 -71.73 -37.1 70.64 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -174.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.418 ' SG ' ' HE3' ' A' ' 20' ' ' TRP . 37.6 t -76.66 -31.14 57.11 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.22 -45.52 80.41 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.173 175.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -69.33 -35.05 75.54 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.779 0.831 . . . . 0.0 111.069 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.619 ' HZ ' ' HG3' ' A' ' 6' ' ' MET . 49.5 t80 -48.39 -40.96 27.48 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 125.453 1.501 . . . . 0.0 112.519 -175.497 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -55.89 -39.37 71.48 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 113.93 -1.486 . . . . 0.0 112.407 -173.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -121.22 0.87 10.2 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.071 0.948 . . . . 0.0 111.572 -175.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -62.09 -61.42 2.49 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.007 0.923 . . . . 0.0 110.608 -178.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -76.88 170.72 15.98 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 114.783 -1.098 . . . . 0.0 110.633 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -63.08 -30.91 71.96 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.551 0.74 . . . . 0.0 111.604 -174.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.41 ' HB3' ' HB2' ' A' ' 47' ' ' ASN . 36.7 mtmm -73.24 129.47 38.11 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 170.266 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -132.02 -49.36 0.94 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.856 0.862 . . . . 0.0 110.474 -176.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -97.65 8.69 44.2 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.09 0.556 . . . . 0.0 111.668 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.41 ' HB2' ' HB3' ' A' ' 44' ' ' LYS . 13.6 m120 -76.69 -43.03 39.37 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 175.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.574 HD11 HD13 ' A' ' 13' ' ' LEU . 3.0 tm? -74.33 -23.23 59.02 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.279 0.631 . . . . 0.0 110.16 177.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -59.19 -32.33 69.82 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.02 0.928 . . . . 0.0 111.616 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -64.49 -37.04 86.16 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.139 0.576 . . . . 0.0 111.358 176.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.538 HD13 ' HA ' ' A' ' 48' ' ' LEU . 2.1 mp -62.8 -31.65 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 C-N-CA 124.051 0.94 . . . . 0.0 110.12 -179.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.417 HD11 ' HG3' ' A' ' 18' ' ' ARG . 4.6 mm? -73.67 -37.03 65.4 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.455 176.129 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.525 ' HG3' HD22 ' A' ' 57' ' ' LEU . 25.1 tp60 -63.31 -40.68 97.99 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 173.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.721 ' HB3' ' HE2' ' A' ' 58' ' ' LYS . 87.7 mm-40 -63.57 -42.17 98.34 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.701 0.8 . . . . 0.0 110.629 176.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -53.12 -45.57 68.36 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.503 0.721 . . . . 0.0 110.909 174.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -69.19 -61.23 1.88 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.187 0.595 . . . . 0.0 111.262 -178.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.525 HD22 ' HG3' ' A' ' 53' ' ' GLN . 4.1 pp -64.81 -41.64 95.63 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 123.694 0.621 . . . . 0.0 112.193 -164.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.721 ' HE2' ' HB3' ' A' ' 54' ' ' GLN . 63.6 mttm -58.19 -59.96 4.5 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 123.783 0.677 . . . . 0.0 110.352 -174.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 70.5 mtm -70.53 -22.22 62.64 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.801 -174.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -77.13 -50.23 13.47 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.93 0.492 . . . . 0.0 110.855 -178.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -74.31 -37.9 63.49 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 122.999 0.52 . . . . 0.0 111.799 -173.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.03 -28.99 63.72 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.44 0.296 . . . . 0.0 110.417 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.402 ' HA ' ' HG2' ' A' ' 66' ' ' ARG . 44.2 ttp85 -71.09 -45.67 63.25 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.138 0.575 . . . . 0.0 109.894 176.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -61.82 -36.21 80.47 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.575 177.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.76 -49.83 55.51 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.506 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.402 ' HG2' ' HA ' ' A' ' 63' ' ' ARG . 6.5 ptm180 -73.21 -19.67 61.04 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.697 0.399 . . . . 0.0 111.79 -176.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.45 ' HA ' ' NE ' ' A' ' 67' ' ' ARG . 3.7 mmp_? -93.41 -5.32 49.66 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.925 0.49 . . . . 0.0 111.818 175.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.403 ' HG3' ' HE3' ' A' ' 70' ' ' LYS . 34.3 ttmt 66.49 35.9 5.32 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.053 0.941 . . . . 0.0 110.587 169.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -95.11 82.97 3.83 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.554 -178.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.403 ' HE3' ' HG3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -146.97 -172.46 4.0 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.343 178.143 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.604 ' HZ2' ' HB3' ' A' ' 71' ' ' LYS . 6.8 ttpm? . . . . . 0 C--O 1.25 1.107 0 C-N-CA 124.322 1.049 . . . . 0.0 108.237 -178.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 91.8 m95 . . . . . 0 N--CA 1.479 1.011 0 CA-C-O 120.807 0.337 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.39 146.57 29.27 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 174.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.414 ' HA ' ' HB2' ' A' ' 6' ' ' MET . 45.1 mt-10 -58.81 -19.15 38.59 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -170.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -71.3 -49.24 44.78 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.508 0.723 . . . . 0.0 111.207 175.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -73.61 -29.58 62.46 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.07 0.462 . . . . 0.0 110.219 177.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.414 ' HB2' ' HA ' ' A' ' 3' ' ' GLU . 80.9 mtp -71.72 -23.1 61.57 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.79 0.836 . . . . 0.0 110.594 172.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.95 -31.81 54.69 Favored Glycine 0 C--N 1.347 1.153 0 O-C-N 123.85 0.719 . . . . 0.0 111.787 172.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.6 m -68.02 -38.03 82.1 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.213 0.605 . . . . 0.0 109.774 171.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.37 -47.24 77.07 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.546 174.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -56.04 -43.44 77.84 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.75 1.22 . . . . 0.0 110.88 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -75.59 -29.29 59.23 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.705 -176.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.95 -46.18 68.27 Favored Glycine 0 C--N 1.343 0.964 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 172.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.552 HD23 ' HG2' ' A' ' 18' ' ' ARG . 30.1 mt -67.47 -26.34 66.33 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.427 1.091 . . . . 0.0 110.481 178.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 tt -72.86 -60.25 2.32 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 174.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -71.61 -61.81 1.64 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.014 0.926 . . . . 0.0 111.258 -168.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -81.29 -30.61 33.93 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.102 -175.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.58 -174.06 22.45 Favored Glycine 0 N--CA 1.466 0.641 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.144 -176.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.552 ' HG2' HD23 ' A' ' 13' ' ' LEU . 41.7 mtm180 -83.2 43.48 0.88 Allowed 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 121.19 0.519 . . . . 0.0 112.179 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -82.04 95.8 7.54 Favored 'General case' 0 C--N 1.344 0.366 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 173.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.477 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 55.5 m95 -52.36 -36.97 55.05 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.271 1.428 . . . . 0.0 112.261 -170.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.3 m -60.55 -51.19 70.5 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.504 1.122 . . . . 0.0 110.984 178.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.92 -42.73 89.74 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.681 -176.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.4 HG13 HD22 ' A' ' 13' ' ' LEU . 22.2 mm -77.71 -38.28 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.814 -170.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.466 ' HB3' ' HG ' ' A' ' 35' ' ' CYS . . . -72.33 -20.86 61.41 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.271 175.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -83.08 -26.41 31.11 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 122.391 0.276 . . . . 0.0 110.814 168.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.1 ttt -76.5 -62.02 1.76 Allowed 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.189 0.596 . . . . 0.0 111.469 -176.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.4 m -86.96 -36.74 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 122.85 0.46 . . . . 0.0 111.401 177.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.23 -44.96 7.75 Favored Glycine 0 C--N 1.343 0.932 0 CA-C-N 116.046 -0.525 . . . . 0.0 113.111 -175.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.8 p 50.16 32.32 5.88 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.984 1.314 . . . . 0.0 112.883 -175.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -149.67 -75.34 0.16 Allowed 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -176.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.9 m -124.83 135.33 52.83 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.145 0.578 . . . . 0.0 111.353 -169.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.8 t -67.65 -28.79 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 C-N-CA 124.023 0.929 . . . . 0.0 111.264 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.7 m -59.66 -21.84 61.07 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.791 0.837 . . . . 0.0 112.563 176.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -63.63 -51.98 62.8 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 122.955 0.502 . . . . 0.0 111.594 -176.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.477 ' SG ' ' HB3' ' A' ' 20' ' ' TRP . 29.6 p -65.46 -35.66 81.58 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.095 0.558 . . . . 0.0 110.672 -178.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -58.65 -58.8 6.99 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.039 0.936 . . . . 0.0 111.471 176.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -69.18 -30.2 68.35 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.454 -175.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -69.33 -36.65 77.14 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 122.715 0.406 . . . . 0.0 110.44 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -60.44 -43.93 96.32 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -167.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -80.47 8.31 7.99 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.297 0.639 . . . . 0.0 111.922 -174.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.74 34.42 0.61 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.059 0.944 . . . . 0.0 108.576 169.347 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -54.55 -70.18 0.11 Allowed 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.515 1.126 . . . . 0.0 110.647 -177.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.448 ' HE3' ' HB2' ' A' ' 46' ' ' GLN . 32.3 ttpt -178.24 96.39 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -63.14 -23.14 67.3 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.637 0.775 . . . . 0.0 111.702 -173.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -74.23 -28.45 61.25 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 123.48 0.712 . . . . 0.0 111.784 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.448 ' HB2' ' HE3' ' A' ' 43' ' ' LYS . 77.4 mt-30 -126.58 105.57 8.82 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.071 0.548 . . . . 0.0 109.729 -177.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -71.12 117.67 12.92 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.571 0.748 . . . . 0.0 111.303 -175.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.428 HD12 HD21 ' A' ' 52' ' ' LEU . 3.3 tm? -77.92 -28.61 49.71 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.583 1.153 . . . . 0.0 110.386 -178.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -61.5 -35.7 78.43 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.732 0.813 . . . . 0.0 111.845 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -64.87 -37.63 88.28 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 123.708 0.63 . . . . 0.0 110.344 178.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 48' ' ' LEU . 62.1 mt -65.41 -36.57 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 123.809 0.844 . . . . 0.0 110.61 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.428 HD21 HD12 ' A' ' 48' ' ' LEU . 3.8 mm? -68.18 -43.41 78.21 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.83 173.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -62.5 -42.27 99.39 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.833 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -63.28 -54.59 34.79 Favored 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 123.877 0.871 . . . . 0.0 110.596 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -55.14 -39.72 69.76 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.104 0.562 . . . . 0.0 111.546 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -62.54 -53.93 47.34 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.332 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.01 -28.33 62.3 Favored 'General case' 0 C--O 1.214 -0.791 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.662 -174.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.445 ' HA ' ' HE2' ' A' ' 61' ' ' LYS . 25.6 mtpp -67.92 -55.65 12.0 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.462 0.705 . . . . 0.0 111.18 -176.375 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -28.09 69.15 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.167 0.587 . . . . 0.0 111.954 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -82.24 -46.8 13.22 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.83 0.452 . . . . 0.0 111.647 -178.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.445 ' HE2' ' HA ' ' A' ' 58' ' ' LYS . 63.9 pttt -68.59 -37.7 80.06 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.022 0.529 . . . . 0.0 110.398 -174.173 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -71.22 -36.09 71.73 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -59.84 -45.54 92.1 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 124.276 0.985 . . . . 0.0 109.381 177.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.47 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 24.9 t-20 -59.67 -49.5 77.5 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.087 178.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.9 -32.29 73.94 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.648 0.779 . . . . 0.0 112.329 -177.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -95.06 -1.71 51.62 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.041 0.536 . . . . 0.0 111.609 -177.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -123.41 34.23 5.15 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.432 0.693 . . . . 0.0 110.863 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 64' ' ' ASN . 61.1 mtpt -89.7 26.6 1.72 Allowed 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 123.442 0.697 . . . . 0.0 111.233 174.065 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.472 ' HB2' ' HZ1' ' A' ' 69' ' ' LYS . 0.0 OUTLIER 59.54 37.55 22.71 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.694 1.197 . . . . 0.0 110.215 -174.281 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -58.2 131.26 50.04 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.756 1.222 . . . . 0.0 109.773 176.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm . . . . . 0 C--O 1.252 1.217 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -176.18 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 96.9 m95 . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.7 m -86.18 166.33 15.83 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 171.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.417 ' HA ' ' HB2' ' A' ' 6' ' ' MET . 52.7 mt-10 -61.16 -20.0 62.21 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -169.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -65.82 -54.54 25.44 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 118.282 0.492 . . . . 0.0 110.57 175.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -75.92 -28.42 58.0 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.518 0.727 . . . . 0.0 110.964 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.417 ' HB2' ' HA ' ' A' ' 3' ' ' GLU . 15.0 mmt -55.19 -47.3 75.44 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 166.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.26 -37.03 86.08 Favored Glycine 0 C--N 1.347 1.165 0 CA-C-N 114.586 -1.188 . . . . 0.0 113.56 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.7 m -71.35 -38.13 71.64 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.181 0.593 . . . . 0.0 110.716 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.65 -35.21 60.48 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.078 0.551 . . . . 0.0 110.468 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -61.37 -42.14 98.22 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.72 0.808 . . . . 0.0 110.389 172.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -68.33 -36.49 79.35 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.069 -0.968 . . . . 0.0 109.872 177.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.99 -42.82 96.61 Favored Glycine 0 C--N 1.344 1.015 0 CA-C-N 116.169 -0.468 . . . . 0.0 112.75 177.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.9 mt -70.4 -25.38 63.21 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.962 0.905 . . . . 0.0 110.326 176.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.3 tp -76.28 -25.19 54.64 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 123.84 0.856 . . . . 0.0 111.766 173.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -106.17 -63.39 1.27 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.829 -0.545 . . . . 0.0 112.166 -177.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -73.42 -28.59 62.07 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.82 0.848 . . . . 0.0 110.896 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.18 -162.5 20.0 Favored Glycine 0 C--N 1.343 0.955 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.699 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.46 ' NE ' ' HG ' ' A' ' 52' ' ' LEU . 11.4 tpp180 -76.14 9.94 2.24 Favored 'General case' 0 CA--C 1.568 1.637 0 C-N-CA 123.992 0.917 . . . . 0.0 111.861 -174.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.472 ' O ' HG12 ' A' ' 23' ' ' ILE . 45.9 m-80 -66.31 94.67 0.27 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.89 0.876 . . . . 0.0 110.55 178.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -60.12 -31.79 70.39 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.804 0.841 . . . . 0.0 112.093 -174.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.2 t -68.23 -40.48 82.02 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.64 0.776 . . . . 0.0 110.873 177.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.9 -39.41 76.24 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.243 0.617 . . . . 0.0 111.069 -177.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.597 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 18.3 mm -74.73 -37.08 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.38 -179.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.3 -32.85 72.7 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.866 0.866 . . . . 0.0 111.646 175.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.3 ttt85 -77.45 -39.19 47.61 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.748 0.819 . . . . 0.0 110.32 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.5 ttt -69.43 -61.39 1.81 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.064 0.546 . . . . 0.0 111.741 -173.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.0 m -88.52 -40.94 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 122.799 0.439 . . . . 0.0 112.117 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.05 -45.53 7.54 Favored Glycine 0 C--N 1.345 1.037 0 O-C-N 123.581 0.551 . . . . 0.0 112.744 -175.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.4 t 56.59 23.14 7.36 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 124.997 1.319 . . . . 0.0 111.54 -172.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -135.42 -77.66 0.44 Allowed 'General case' 0 C--N 1.361 1.073 0 C-N-CA 123.512 0.725 . . . . 0.0 111.485 -173.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.5 m -136.26 143.91 44.52 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.714 0.406 . . . . 0.0 110.92 -163.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.8 t -66.88 -33.39 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 123.676 0.79 . . . . 0.0 110.766 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.2 t -56.41 -38.24 71.26 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.081 0.952 . . . . 0.0 110.983 175.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -59.74 -43.85 94.07 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 124.008 0.923 . . . . 0.0 110.961 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.597 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 42.3 t -75.82 -28.75 58.4 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.222 0.609 . . . . 0.0 111.705 178.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -67.59 -52.8 34.27 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.065 0.546 . . . . 0.0 110.581 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -71.64 -21.19 61.86 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.424 0.689 . . . . 0.0 111.093 -177.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.416 ' HE1' ' HA ' ' A' ' 6' ' ' MET . 21.4 t80 -50.41 -47.46 56.54 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.675 0.79 . . . . 0.0 111.137 171.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -72.93 -31.59 64.72 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.382 -169.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -86.44 -19.35 29.76 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.405 0.682 . . . . 0.0 110.637 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -107.97 33.47 4.08 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.976 0.91 . . . . 0.0 109.718 172.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -73.13 -18.54 61.27 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 124.047 0.939 . . . . 0.0 110.467 177.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt 63.26 -86.81 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 126.216 1.806 . . . . 0.0 111.687 172.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.518 ' HZ1' ' HA ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -156.88 87.06 0.99 Allowed 'General case' 0 C--N 1.35 0.62 0 CA-C-O 121.554 0.692 . . . . 0.0 109.605 -177.349 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -130.96 178.05 6.97 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 114.51 -1.223 . . . . 0.0 108.618 172.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.7 pm0 -55.37 134.1 50.07 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.798 0.839 . . . . 0.0 110.673 170.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -61.38 108.04 0.87 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.065 0.546 . . . . 0.0 111.335 -173.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.427 ' HA ' HD12 ' A' ' 51' ' ' ILE . 3.2 tm? -65.51 -32.11 73.54 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.372 0.669 . . . . 0.0 111.026 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -58.31 -43.85 88.35 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.798 0.439 . . . . 0.0 111.568 -173.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 32.7 tt0 -69.96 -40.63 75.3 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 123.51 0.506 . . . . 0.0 110.224 176.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.427 HD12 ' HA ' ' A' ' 48' ' ' LEU . 96.5 mt -55.76 -33.56 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 C-N-CA 124.262 1.025 . . . . 0.0 111.316 177.367 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.46 ' HG ' ' NE ' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -70.46 -40.73 73.51 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.727 0.811 . . . . 0.0 109.466 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.533 HE21 HD21 ' A' ' 57' ' ' LEU . 49.9 tp60 -64.51 -38.09 89.81 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.075 174.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 10.6 mm-40 -63.48 -46.63 85.29 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -53.62 -42.98 68.31 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.117 0.967 . . . . 0.0 111.365 176.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -62.62 -60.84 2.96 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.337 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.533 HD21 HE21 ' A' ' 53' ' ' GLN . 4.4 pp -68.54 -29.14 67.64 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 123.643 0.589 . . . . 0.0 112.45 -171.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -62.49 -52.26 64.21 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.468 0.707 . . . . 0.0 110.61 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 50.4 ttm -74.84 -31.79 61.75 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.283 -178.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.92 -46.29 75.26 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.353 0.661 . . . . 0.0 111.571 -178.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -72.58 -37.74 68.08 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 122.824 0.45 . . . . 0.0 111.145 -176.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -68.58 -36.71 79.1 Favored 'General case' 0 C--O 1.21 -1.023 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.491 ' HA ' ' HG2' ' A' ' 66' ' ' ARG . 74.0 mtm180 -71.08 -32.44 69.08 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.404 0.681 . . . . 0.0 111.042 177.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -65.15 -34.36 78.2 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 122.821 0.448 . . . . 0.0 110.365 176.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.13 -52.23 6.8 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 123.692 0.797 . . . . 0.0 112.129 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.491 ' HG2' ' HA ' ' A' ' 63' ' ' ARG . 14.1 ptm180 -74.55 -26.33 59.89 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.9 0.88 . . . . 0.0 111.935 -168.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -97.51 -0.8 45.36 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.955 0.502 . . . . 0.0 111.099 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -85.55 69.57 10.67 Favored 'General case' 0 C--N 1.357 0.901 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 170.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -107.42 48.85 0.83 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.289 -1.323 . . . . 0.0 108.964 -177.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -109.57 115.28 29.62 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.162 -1.381 . . . . 0.0 108.263 177.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.445 ' HE3' ' N ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.554 1.101 0 CA-C-O 118.891 -0.576 . . . . 0.0 110.03 -177.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 84.3 m95 . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.1 m -91.67 157.88 16.7 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.574 0.75 . . . . 0.0 109.343 175.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -49.71 -21.37 1.05 Allowed 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 -173.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -75.66 -54.07 7.55 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.291 0.636 . . . . 0.0 110.954 -177.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -74.06 -29.18 61.76 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.388 0.675 . . . . 0.0 110.249 176.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.413 ' SD ' ' NZ ' ' A' ' 44' ' ' LYS . 51.8 ttm -71.68 -28.88 64.02 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.361 1.064 . . . . 0.0 110.057 175.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.46 -30.16 62.79 Favored Glycine 0 C--N 1.352 1.428 0 O-C-N 123.568 0.543 . . . . 0.0 111.76 172.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.7 m -72.7 -31.72 65.22 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.341 0.656 . . . . 0.0 109.802 173.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.573 ' HA ' HG12 ' A' ' 27' ' ' VAL . . . -74.34 -37.76 63.45 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.73 0.812 . . . . 0.0 110.321 176.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.506 ' HG3' HD12 ' A' ' 51' ' ' ILE . 77.4 tttt -60.3 -54.66 43.08 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.317 1.047 . . . . 0.0 110.018 175.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -68.45 -28.33 66.96 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.642 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.02 -47.08 91.64 Favored Glycine 0 C--N 1.343 0.927 0 N-CA-C 112.148 -0.381 . . . . 0.0 112.148 175.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.534 HD23 ' HG2' ' A' ' 18' ' ' ARG . 90.2 mt -68.95 -29.06 67.22 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.684 0.793 . . . . 0.0 110.59 178.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 tt -70.01 -43.5 71.23 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.888 0.875 . . . . 0.0 109.941 174.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -77.94 -54.69 6.02 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.552 0.741 . . . . 0.0 110.773 -170.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -90.57 -8.45 50.18 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 115.091 -0.958 . . . . 0.0 112.11 -171.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 69.66 43.48 67.63 Favored Glycine 0 CA--C 1.537 1.467 0 O-C-N 123.098 0.249 . . . . 0.0 113.336 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.534 ' HG2' HD23 ' A' ' 13' ' ' LEU . 68.5 mtm180 59.85 24.38 13.4 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 124.62 1.168 . . . . 0.0 113.633 178.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.465 ' O ' HG12 ' A' ' 23' ' ' ILE . 35.2 t30 -69.99 92.91 0.75 Allowed 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 169.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -59.71 -26.97 66.05 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.898 0.879 . . . . 0.0 112.668 -166.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.6 m -59.97 -46.72 88.51 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.514 0.725 . . . . 0.0 110.506 174.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.98 -38.3 66.73 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.799 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.465 HG12 ' O ' ' A' ' 19' ' ' ASN . 22.5 mm -70.44 -52.69 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 122.853 0.461 . . . . 0.0 110.096 -174.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.83 -22.05 66.52 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.281 0.632 . . . . 0.0 111.701 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -79.78 -38.6 32.79 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.085 0.554 . . . . 0.0 109.544 174.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.0 ttt -74.96 -62.29 1.59 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.874 0.869 . . . . 0.0 111.266 -175.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.573 HG12 ' HA ' ' A' ' 9' ' ' ALA . 6.2 m -89.72 -35.4 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.018 0.927 . . . . 0.0 112.554 -174.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.82 -40.18 9.77 Favored Glycine 0 C--N 1.345 1.057 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.866 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.1 t 60.79 31.89 20.11 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 124.952 1.301 . . . . 0.0 110.914 -171.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.507 ' HB2' ' HZ3' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -151.9 -177.04 5.9 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.866 0.866 . . . . 0.0 109.515 -174.061 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.415 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 87.7 m -50.3 153.73 1.43 Allowed 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 125.252 1.421 . . . . 0.0 113.031 174.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.3 t -44.81 -39.0 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 125.286 1.434 . . . . 0.0 112.726 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.3 m -49.78 -37.85 31.65 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.848 1.259 . . . . 0.0 113.545 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -56.93 -51.3 69.68 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.382 0.673 . . . . 0.0 111.876 -177.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 48.9 t -83.26 -32.35 26.47 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 122.798 0.439 . . . . 0.0 111.622 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -50.24 70.24 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.631 0.772 . . . . 0.0 109.341 -173.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -60.95 -47.78 84.85 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 123.756 0.66 . . . . 0.0 110.559 176.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -49.3 -39.07 29.66 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 124.425 1.078 . . . . 0.0 111.88 -176.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -53.23 -35.81 60.36 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.688 1.195 . . . . 0.0 112.959 -172.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -123.23 1.21 9.09 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.693 0.797 . . . . 0.0 111.434 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -75.24 -55.93 5.22 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.572 0.749 . . . . 0.0 110.314 -178.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -82.5 148.05 28.33 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.619 -175.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.2 tppm? -64.26 95.14 0.12 Allowed 'General case' 0 C--N 1.356 0.878 0 C-N-CA 123.387 0.675 . . . . 0.0 109.61 174.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.413 ' NZ ' ' SD ' ' A' ' 6' ' ' MET . 22.7 ttmm -156.01 104.57 2.29 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 114.771 -1.104 . . . . 0.0 108.327 -178.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -65.62 165.4 12.48 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 123.639 0.776 . . . . 0.0 111.121 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -83.97 52.92 2.42 Favored 'General case' 0 CA--C 1.556 1.182 0 CA-C-O 121.525 0.679 . . . . 0.0 112.375 -167.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -68.41 -21.18 64.69 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.996 0.918 . . . . 0.0 109.335 163.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.461 ' HA ' HD13 ' A' ' 51' ' ' ILE . 2.9 tm? -60.07 -27.57 67.08 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.08 1.352 . . . . 0.0 110.818 177.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.11 -46.07 79.24 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.512 0.725 . . . . 0.0 110.815 173.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 31.8 tt0 -70.51 -30.31 67.05 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.827 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.506 HD12 ' HG3' ' A' ' 10' ' ' LYS . 82.9 mt -64.76 -31.51 54.08 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.137 0 C-N-CA 123.705 0.802 . . . . 0.0 110.42 177.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.442 HD21 HD12 ' A' ' 48' ' ' LEU . 4.3 mm? -79.84 -26.63 40.36 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.402 0.681 . . . . 0.0 111.45 174.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.451 ' HG3' HD23 ' A' ' 57' ' ' LEU . 22.6 tp60 -65.82 -35.22 80.07 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 168.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 73.6 mm-40 -67.5 -37.05 82.24 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.012 0.525 . . . . 0.0 110.387 176.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -57.3 -36.68 71.39 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.59 0.756 . . . . 0.0 111.218 174.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -71.46 -62.26 1.47 Allowed 'General case' 0 C--O 1.242 0.658 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.311 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.451 HD23 ' HG3' ' A' ' 53' ' ' GLN . 3.7 pp -74.31 -41.57 60.93 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.941 -161.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.496 ' HZ2' ' HB3' ' A' ' 58' ' ' LYS . 7.9 mtpm? -63.17 -24.22 67.79 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 123.216 0.606 . . . . 0.0 112.591 -175.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 45.7 ttm -83.01 -48.03 11.07 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.198 0.599 . . . . 0.0 110.592 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -83.17 -22.04 33.36 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.848 0.859 . . . . 0.0 112.705 -172.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -71.07 -50.47 33.48 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.639 0.776 . . . . 0.0 109.941 -176.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -66.55 -33.53 75.87 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.468 174.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -68.09 -39.28 82.93 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.086 0.954 . . . . 0.0 110.519 -177.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -70.71 -37.08 73.53 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.31 0.644 . . . . 0.0 109.827 176.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.546 ' HA ' ' HZ3' ' A' ' 68' ' ' LYS . . . -68.13 -39.84 82.63 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.736 0.814 . . . . 0.0 111.985 -179.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -83.72 -29.64 27.35 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 122.86 0.464 . . . . 0.0 112.0 -172.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -90.07 17.28 7.1 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 122.979 0.511 . . . . 0.0 111.784 -177.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.546 ' HZ3' ' HA ' ' A' ' 65' ' ' ALA . 52.5 mttp -72.46 88.67 1.22 Allowed 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.646 0.736 . . . . 0.0 110.804 175.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -146.73 39.55 1.05 Allowed 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 171.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -116.97 123.59 47.29 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 114.501 -1.227 . . . . 0.0 109.91 -174.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp . . . . . 0 C--O 1.252 1.237 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 174.194 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 17.4 m95 . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.2 m -67.44 146.58 53.86 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.295 0.638 . . . . 0.0 109.693 175.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.482 ' HA ' ' HB2' ' A' ' 6' ' ' MET . 46.4 mt-10 -54.96 -20.2 8.49 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -175.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -67.25 -54.06 24.35 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.619 0.768 . . . . 0.0 110.766 175.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -73.73 -27.49 61.21 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.315 0.646 . . . . 0.0 110.944 178.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.482 ' HB2' ' HA ' ' A' ' 3' ' ' GLU . 0.6 OUTLIER -64.87 -33.77 76.81 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.268 0.627 . . . . 0.0 109.968 170.072 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.4 -30.33 62.64 Favored Glycine 0 C--N 1.352 1.424 0 O-C-N 123.631 0.582 . . . . 0.0 112.364 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.5 m -76.76 -30.44 56.55 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.555 0.742 . . . . 0.0 109.98 174.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.05 -30.84 50.0 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.675 0.79 . . . . 0.0 110.233 175.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -67.19 -45.96 75.36 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 173.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -62.32 -42.62 99.53 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.112 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.9 -55.74 22.72 Favored Glycine 0 C--N 1.343 0.963 0 O-C-N 123.535 0.522 . . . . 0.0 112.6 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.5 mt -64.86 -24.15 67.45 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.861 0.864 . . . . 0.0 111.86 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 tt -73.89 -59.15 2.85 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 172.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -69.44 -60.88 2.04 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.702 0.801 . . . . 0.0 112.2 -170.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -80.11 -12.82 59.63 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.596 0.758 . . . . 0.0 111.406 -176.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.36 -149.15 33.45 Favored Glycine 0 C--N 1.343 0.964 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 -175.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -94.64 22.17 6.56 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.157 0.583 . . . . 0.0 111.304 -176.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.477 ' O ' HG12 ' A' ' 23' ' ' ILE . 28.3 t-20 -72.9 95.38 1.95 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 175.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.411 ' HE3' ' HG ' ' A' ' 35' ' ' CYS . 28.0 m95 -57.78 -27.86 63.45 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.956 0.902 . . . . 0.0 112.229 -171.07 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.472 ' HA ' HG22 ' A' ' 32' ' ' VAL . 19.2 m -64.53 -49.17 72.3 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.594 0.757 . . . . 0.0 111.03 177.437 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.06 -41.86 85.72 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.944 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 19' ' ' ASN . 18.7 mm -67.72 -49.22 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.646 -177.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 31' ' ' THR . . . -68.67 -19.42 64.39 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.526 0.731 . . . . 0.0 112.53 -178.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -83.22 -31.93 26.77 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 122.91 0.484 . . . . 0.0 110.724 171.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.0 ttt -77.95 -62.35 1.7 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.678 0.791 . . . . 0.0 111.426 -177.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 23' ' ' ILE . 25.6 m -87.67 -40.27 13.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 C-N-CA 123.887 0.875 . . . . 0.0 112.1 -177.048 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.33 -39.26 12.86 Favored Glycine 0 C--N 1.352 1.462 0 CA-C-N 116.336 -0.393 . . . . 0.0 112.585 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.3 t 62.83 27.0 15.86 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 125.62 1.568 . . . . 0.0 112.778 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.9 -74.28 0.17 Allowed 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -177.183 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.418 ' O ' ' HB1' ' A' ' 24' ' ' ALA . 97.6 m -129.31 137.94 51.31 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.486 0.714 . . . . 0.0 111.57 -165.206 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.472 HG22 ' HA ' ' A' ' 21' ' ' SER . 51.6 t -60.78 -36.07 68.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 C-N-CA 124.332 1.053 . . . . 0.0 111.404 -177.448 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 63.0 m -60.61 -23.93 65.1 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.992 0.917 . . . . 0.0 112.53 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -61.12 -53.1 61.25 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 118.189 0.449 . . . . 0.0 110.611 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.411 ' HG ' ' HE3' ' A' ' 20' ' ' TRP . 52.8 t -72.16 -27.74 62.78 Favored 'General case' 0 N--CA 1.484 1.247 0 O-C-N 123.659 0.6 . . . . 0.0 111.267 -177.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.75 -51.01 54.16 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -72.99 -34.98 66.77 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.596 0.758 . . . . 0.0 110.404 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -51.16 -37.78 48.33 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 124.969 1.308 . . . . 0.0 111.04 170.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -72.2 -17.19 61.94 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.809 -175.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 . . . . . 0 N--CA 1.482 1.168 0 C-N-CA 123.52 0.728 . . . . 0.0 111.329 176.258 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tm? . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 120.447 0.165 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.42 -43.33 96.86 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.316 0.646 . . . . 0.0 110.469 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -69.88 -37.17 75.96 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.825 -1.079 . . . . 0.0 110.947 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 86.0 mt -57.14 -43.88 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 C-N-CA 123.227 0.611 . . . . 0.0 110.563 177.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.41 -36.66 60.78 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.016 -178.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -68.93 -41.81 77.59 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 123.311 0.382 . . . . 0.0 110.249 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -65.29 -42.95 92.59 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.315 175.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -55.47 -39.23 70.12 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.093 0.557 . . . . 0.0 110.846 174.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -64.38 -61.96 1.9 Allowed 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.375 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 pp -71.44 -34.89 70.69 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -167.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.451 ' HA ' ' HE2' ' A' ' 61' ' ' LYS . 95.1 mttt -62.83 -51.75 65.83 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 123.143 0.577 . . . . 0.0 110.939 -177.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 48.8 tpp -69.46 -41.6 76.01 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.527 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -65.07 -44.76 87.87 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.785 0.834 . . . . 0.0 111.795 -172.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.451 ' HE2' ' HA ' ' A' ' 58' ' ' LYS . 63.3 pttt -65.51 -45.08 84.94 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 123.689 0.618 . . . . 0.0 111.014 -174.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -77.04 -27.57 54.51 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.991 0.516 . . . . 0.0 110.457 -176.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -66.32 -37.57 85.68 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.846 0.858 . . . . 0.0 110.04 177.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.474 0.748 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.289 177.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 76.0 m95 . . . . . 0 N--CA 1.472 0.656 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.6 m -74.8 155.43 37.6 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.197 0.999 . . . . 0.0 109.891 173.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -53.9 -22.81 10.83 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -178.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -72.86 -55.76 6.19 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 122.708 0.403 . . . . 0.0 110.33 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -71.78 -30.08 65.17 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.197 0.599 . . . . 0.0 110.961 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 28.3 ttm -71.98 -39.97 68.93 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.57 0.748 . . . . 0.0 110.037 177.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.08 -31.24 69.4 Favored Glycine 0 C--N 1.346 1.127 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.738 176.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.0 m -75.55 -32.21 60.34 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.759 0.824 . . . . 0.0 110.268 175.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.25 -50.68 59.63 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.552 0.741 . . . . 0.0 109.369 175.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -56.53 -45.03 81.34 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.122 1.369 . . . . 0.0 110.422 176.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -62.4 -39.75 94.28 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.87 0.868 . . . . 0.0 110.191 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.0 -36.83 86.89 Favored Glycine 0 C--N 1.344 0.991 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.869 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.557 HD13 HD11 ' A' ' 48' ' ' LEU . 18.6 mt -72.36 -34.47 68.02 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.916 0.886 . . . . 0.0 110.169 177.291 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.1 tp -74.86 -23.45 58.41 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.344 1.058 . . . . 0.0 110.826 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -106.94 -63.78 1.25 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.07 0.548 . . . . 0.0 111.305 -174.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -74.59 -48.75 24.78 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.702 0.801 . . . . 0.0 110.323 -176.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.4 -161.89 21.46 Favored Glycine 0 C--N 1.343 0.945 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.321 -177.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -84.59 9.15 14.44 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.753 1.221 . . . . 0.0 111.525 -172.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.447 ' O ' HG12 ' A' ' 23' ' ' ILE . 86.1 m-20 -66.74 94.43 0.3 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.929 0.892 . . . . 0.0 109.519 177.009 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.493 ' HE3' ' SG ' ' A' ' 35' ' ' CYS . 50.5 m95 -61.17 -21.75 64.09 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.615 0.766 . . . . 0.0 111.876 -174.321 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.409 ' HA ' HG22 ' A' ' 32' ' ' VAL . 23.5 t -71.31 -43.3 67.34 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.926 0.89 . . . . 0.0 110.281 178.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.23 -41.7 94.14 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.39 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.591 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 18.1 mm -71.82 -40.59 69.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.05 -177.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.29 -38.47 91.29 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.383 0.673 . . . . 0.0 111.352 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.407 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 63.9 ttt180 -77.4 -30.9 53.78 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.622 176.408 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.0 ttt -66.9 -58.1 5.66 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.95 0.5 . . . . 0.0 111.003 -177.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 23' ' ' ILE . 35.0 m -87.5 -48.71 15.15 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -177.347 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.25 -37.92 11.78 Favored Glycine 0 C--N 1.343 0.941 0 O-C-N 123.441 0.463 . . . . 0.0 113.355 -176.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 25' ' ' ARG . 10.3 t 60.4 30.45 19.81 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.052 1.341 . . . . 0.0 109.861 -164.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.479 ' HG2' ' H ' ' A' ' 31' ' ' THR . 38.2 ttmt -130.69 176.51 8.13 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.315 1.046 . . . . 0.0 109.492 -172.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.479 ' H ' ' HG2' ' A' ' 30' ' ' LYS . 18.2 m -49.07 151.31 1.34 Allowed 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 125.364 1.466 . . . . 0.0 113.297 178.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.409 HG22 ' HA ' ' A' ' 21' ' ' SER . 52.1 t -51.0 -29.49 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 C-N-CA 124.909 1.284 . . . . 0.0 112.222 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.7 m -47.64 -40.68 20.3 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.21 1.404 . . . . 0.0 112.859 178.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -65.39 -44.33 87.87 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 122.571 0.348 . . . . 0.0 111.8 -175.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.591 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 53.8 t -79.13 -36.0 41.23 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.757 0.423 . . . . 0.0 111.508 -177.287 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -60.45 -51.7 68.35 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.091 0.556 . . . . 0.0 109.607 174.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -60.05 -40.41 89.36 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.516 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -47.0 -38.33 10.61 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 124.258 1.023 . . . . 0.0 111.977 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -55.96 -47.01 78.41 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 124.773 1.296 . . . . 0.0 110.813 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 46.2 p90 . . . . . 0 N--CA 1.481 1.109 0 C-N-CA 123.673 0.789 . . . . 0.0 112.519 -177.602 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.557 HD11 HD13 ' A' ' 13' ' ' LEU . 3.0 tm? . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.416 0.15 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -55.69 -34.1 64.74 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.358 0.663 . . . . 0.0 111.451 175.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -60.82 -33.7 73.42 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.383 0.673 . . . . 0.0 112.197 -175.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.1 mp -64.28 -39.31 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.407 HD21 HD22 ' A' ' 13' ' ' LEU . 3.7 mm? -79.41 -28.38 41.8 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.987 0.915 . . . . 0.0 111.568 177.009 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -71.11 -43.97 66.6 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.947 0.899 . . . . 0.0 109.469 -176.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -69.65 -41.24 75.81 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.898 0.879 . . . . 0.0 109.903 175.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -57.74 -31.83 66.84 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.622 0.769 . . . . 0.0 111.085 175.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -78.94 -61.84 1.89 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.637 0.775 . . . . 0.0 111.24 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 pp -66.92 -35.95 81.14 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.16 0.584 . . . . 0.0 112.276 -167.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -67.68 -39.72 84.47 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.187 0.595 . . . . 0.0 111.004 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 46.5 tpp -68.57 -41.16 80.1 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.974 -176.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -74.62 -38.42 62.57 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.486 0.715 . . . . 0.0 112.153 -175.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -70.53 -40.69 73.29 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 111.399 0.148 . . . . 0.0 111.399 -175.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -71.33 -32.11 68.19 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.502 0.321 . . . . 0.0 110.152 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -59.4 -48.36 81.92 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.211 1.004 . . . . 0.0 110.342 -177.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 60.6 t30 . . . . . 0 CA--C 1.543 0.689 0 O-C-N 123.687 0.617 . . . . 0.0 110.391 176.854 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 49.1 m95 . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.587 0.232 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.4 m -73.31 150.15 42.11 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.734 0.814 . . . . 0.0 109.894 174.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -57.4 -21.87 39.15 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.561 0.745 . . . . 0.0 112.52 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -70.07 -53.29 18.1 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.722 0.809 . . . . 0.0 111.054 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -69.79 -28.85 66.08 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.056 0.542 . . . . 0.0 110.819 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 89.3 mtp -73.51 -22.9 59.99 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.221 0.608 . . . . 0.0 111.139 174.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.6 -37.12 62.06 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 168.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.5 m -70.13 -32.58 70.65 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.61 0.764 . . . . 0.0 110.621 173.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.433 ' HA ' HG11 ' A' ' 27' ' ' VAL . . . -71.21 -45.54 63.15 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.409 0.684 . . . . 0.0 109.741 177.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 4.8 tmtm? -55.91 -42.82 76.64 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.052 174.377 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.85 -44.61 80.58 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.182 0.993 . . . . 0.0 111.214 178.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.84 -44.45 91.99 Favored Glycine 0 C--N 1.342 0.888 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.489 -177.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.7 mt -71.73 -22.86 61.56 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.363 1.065 . . . . 0.0 110.54 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 10' ' ' LYS . 4.2 tt -75.7 -32.03 59.93 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.928 0.891 . . . . 0.0 110.822 171.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -97.14 -63.3 1.15 Allowed 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 120.869 0.366 . . . . 0.0 111.979 -174.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.403 ' HB2' HD11 ' A' ' 23' ' ' ILE . 36.5 m-70 -78.35 -24.51 46.44 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.742 0.817 . . . . 0.0 111.061 -178.213 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.4 -162.31 31.9 Favored Glycine 0 C--N 1.344 0.991 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.879 -173.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 -80.55 22.67 0.56 Allowed 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 117.891 0.846 . . . . 0.0 112.094 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.458 ' O ' HG12 ' A' ' 23' ' ' ILE . 42.2 t30 -69.63 92.38 0.65 Allowed 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 175.432 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 35.8 m95 -60.61 -24.24 65.34 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.762 0.825 . . . . 0.0 112.318 -171.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.485 ' HA ' HG22 ' A' ' 32' ' ' VAL . 23.6 t -61.26 -53.98 49.94 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 123.545 0.528 . . . . 0.0 109.813 173.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.47 -41.34 89.16 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.264 0.626 . . . . 0.0 112.032 -176.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 19' ' ' ASN . 23.1 mm -74.68 -37.18 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.608 -173.639 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.45 -20.62 62.07 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 21' ' ' SER . 75.2 mtp180 -78.48 -37.51 43.19 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 169.371 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.2 ttt -76.84 -63.85 1.26 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.434 0.694 . . . . 0.0 111.949 -173.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.433 HG11 ' HA ' ' A' ' 9' ' ' ALA . 18.8 m -87.25 -39.44 13.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 123.258 0.623 . . . . 0.0 111.445 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.94 -41.31 33.22 Favored Glycine 0 C--N 1.348 1.248 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.67 -174.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.0 t 60.09 26.6 15.97 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.426 1.09 . . . . 0.0 111.415 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -143.38 -91.27 0.12 Allowed 'General case' 0 CA--C 1.555 1.164 0 O-C-N 122.192 -0.317 . . . . 0.0 111.486 -171.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 84.9 m -138.69 149.66 45.35 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.521 0.728 . . . . 0.0 110.35 -168.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.485 HG22 ' HA ' ' A' ' 21' ' ' SER . 53.7 t -52.08 -36.41 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 C-N-CA 124.622 1.169 . . . . 0.0 111.863 -177.164 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.6 t -61.46 -27.54 68.64 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.318 1.047 . . . . 0.0 112.654 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -62.14 -50.31 72.4 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.535 0.734 . . . . 0.0 111.379 -175.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.2 t -82.14 -26.42 33.52 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.367 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.05 -56.72 17.72 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 175.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -63.47 -29.63 70.88 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.176 0.991 . . . . 0.0 111.715 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -57.19 -39.02 74.52 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.453 0.701 . . . . 0.0 110.992 174.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -68.27 -17.95 64.41 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 121.074 0.464 . . . . 0.0 111.216 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 . . . . . 0 CA--C 1.548 0.876 0 C-N-CA 123.994 0.918 . . . . 0.0 110.567 177.568 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.455 ' HA ' HD13 ' A' ' 51' ' ' ILE . 2.4 tm? . . . . . 0 CA--C 1.547 0.837 0 CA-C-O 120.974 0.416 . . . . 0.0 111.485 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -59.17 -36.9 76.12 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 123.943 0.897 . . . . 0.0 111.575 175.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -71.67 -35.63 70.38 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.044 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.455 HD13 ' HA ' ' A' ' 48' ' ' LEU . 1.8 mp -59.52 -39.17 78.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 C-N-CA 123.046 0.539 . . . . 0.0 110.129 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.57 -34.33 69.87 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.47 0.708 . . . . 0.0 111.72 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.457 ' HG3' HD23 ' A' ' 57' ' ' LEU . 6.3 tp-100 -62.77 -44.1 97.08 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.042 0.537 . . . . 0.0 110.213 174.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -67.29 -38.88 85.76 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.606 0.762 . . . . 0.0 110.648 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -57.09 -39.42 74.98 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.898 0.879 . . . . 0.0 110.918 176.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -75.63 -59.79 2.6 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.331 178.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.469 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 4.3 pp -64.68 -35.74 82.03 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.836 0.454 . . . . 0.0 111.893 -164.7 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -69.59 -47.13 64.57 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.179 0.592 . . . . 0.0 111.304 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 39.7 tpp -62.24 -48.11 81.43 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.961 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -71.06 -35.66 72.0 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.242 -176.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 57' ' ' LEU . 26.2 ttpp -54.91 -57.8 10.19 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.511 1.124 . . . . 0.0 111.311 -179.227 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -73.03 -32.96 65.43 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.725 -176.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -71.04 -38.44 72.55 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.84 0.456 . . . . 0.0 111.18 -176.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 . . . . . 0 N--CA 1.479 0.994 0 C-N-CA 123.35 0.66 . . . . 0.0 109.866 177.993 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 92.2 m95 . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.496 HG22 ' H ' ' A' ' 4' ' ' GLU . 99.2 m -66.41 146.09 54.95 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.574 1.15 . . . . 0.0 109.534 170.172 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.73 -22.97 65.83 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 118.257 0.48 . . . . 0.0 112.095 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.496 ' H ' HG22 ' A' ' 2' ' ' THR . 35.4 mt-10 -66.93 -55.2 15.61 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.019 0.928 . . . . 0.0 111.284 175.361 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -71.13 -29.39 65.19 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.404 0.682 . . . . 0.0 111.023 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 32.5 ttm -64.22 -37.7 88.41 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.118 1.367 . . . . 0.0 110.14 173.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.96 -32.51 60.75 Favored Glycine 0 C--N 1.346 1.104 0 O-C-N 124.021 0.826 . . . . 0.0 112.635 174.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.408 HG22 HG12 ' A' ' 27' ' ' VAL . 19.6 m -70.38 -33.02 70.91 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.253 0.621 . . . . 0.0 110.199 175.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.44 ' HB2' HG21 ' A' ' 27' ' ' VAL . . . -76.71 -35.84 57.59 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.512 0.725 . . . . 0.0 110.376 176.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.464 ' HG2' HD13 ' A' ' 51' ' ' ILE . 1.6 tmtp? -59.8 -49.06 79.17 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.659 173.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -69.19 -36.85 77.75 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.318 1.047 . . . . 0.0 110.668 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.68 -53.72 39.16 Favored Glycine 0 C--N 1.341 0.825 0 O-C-N 123.36 0.413 . . . . 0.0 112.119 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.549 ' HG ' HG21 ' A' ' 23' ' ' ILE . 24.0 mt -61.27 -40.07 92.74 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.89 0.876 . . . . 0.0 110.172 174.598 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.561 HD12 ' HB2' ' A' ' 55' ' ' HIS . 58.2 tp -61.14 -33.92 74.17 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 123.924 0.89 . . . . 0.0 111.536 177.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -83.89 -56.14 3.85 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 121.213 0.53 . . . . 0.0 111.353 -174.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -90.6 -28.5 18.39 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.726 0.81 . . . . 0.0 112.046 -169.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 111.24 -177.26 19.0 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 -169.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.47 ' NH2' ' HA ' ' A' ' 49' ' ' ASP . 93.6 mtt180 -82.05 56.8 3.27 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-N 117.673 0.737 . . . . 0.0 111.181 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -85.09 96.36 9.41 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.297 1.039 . . . . 0.0 108.692 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -55.36 -47.59 75.53 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.812 0.845 . . . . 0.0 111.993 -172.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.7 t -69.21 -39.54 78.53 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.16 0.584 . . . . 0.0 111.553 -177.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.29 -41.57 56.75 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.913 -171.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.549 HG21 ' HG ' ' A' ' 13' ' ' LEU . 38.2 mm -80.23 -31.57 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 122.964 0.506 . . . . 0.0 110.578 -176.601 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.502 ' HB1' ' O ' ' A' ' 31' ' ' THR . . . -71.9 -21.72 61.59 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.033 173.567 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -81.9 -28.45 32.88 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.687 0.795 . . . . 0.0 110.79 169.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.8 ttt -76.72 -65.4 0.94 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.617 0.367 . . . . 0.0 111.326 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.44 HG21 ' HB2' ' A' ' 9' ' ' ALA . 20.4 m -88.86 -41.5 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 123.307 0.643 . . . . 0.0 111.639 -174.192 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.72 -35.14 55.46 Favored Glycine 0 C--N 1.346 1.138 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.816 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.3 t 68.37 3.3 3.68 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.872 1.269 . . . . 0.0 112.948 173.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -122.4 -79.64 0.61 Allowed 'General case' 0 N--CA 1.481 1.115 0 O-C-N 121.782 -0.573 . . . . 0.0 111.603 -171.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.502 ' O ' ' HB1' ' A' ' 24' ' ' ALA . 17.4 m -138.04 165.8 25.69 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.971 0.508 . . . . 0.0 110.242 -172.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.6 t -51.23 -31.72 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 C-N-CA 125.222 1.409 . . . . 0.0 112.673 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.6 p -54.38 -33.93 60.18 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.043 1.337 . . . . 0.0 113.766 -175.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.4 mp0 -59.66 -50.53 73.52 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -175.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.411 ' H ' ' HB2' ' A' ' 24' ' ' ALA . 51.5 t -72.58 -28.95 63.11 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.541 0.336 . . . . 0.0 110.672 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -65.0 -53.91 38.75 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.442 0.697 . . . . 0.0 111.483 177.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -71.19 -24.9 62.31 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 122.456 0.302 . . . . 0.0 111.346 -177.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -63.8 -38.4 90.98 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-O 121.147 0.499 . . . . 0.0 110.625 173.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -80.09 -49.92 11.07 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.632 0.773 . . . . 0.0 111.959 -175.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 . . . . . 0 N--CA 1.486 1.364 0 C-N-CA 123.556 0.742 . . . . 0.0 112.055 -169.479 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.6 tm? . . . . . 0 CA--C 1.547 0.85 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.47 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 36.3 t70 -63.29 -47.91 80.31 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 123.31 0.381 . . . . 0.0 111.918 -175.263 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.534 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 12.6 pt-20 -68.89 -33.76 74.3 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 122.797 0.439 . . . . 0.0 111.049 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.464 HD13 ' HG2' ' A' ' 10' ' ' LYS . 86.1 mt -61.64 -45.56 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 124.024 0.93 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.468 HD11 ' O ' ' A' ' 13' ' ' LEU . 3.9 mm? -78.0 -25.27 47.92 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.855 179.502 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -65.31 -40.18 93.42 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 175.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 70.0 mm-40 -65.94 -52.07 52.98 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.166 175.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.561 ' HB2' HD12 ' A' ' 14' ' ' LEU . 86.4 t60 -53.41 -40.24 64.95 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 123.507 0.723 . . . . 0.0 111.435 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -60.6 -59.3 5.6 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.605 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 pp -67.11 -30.06 69.97 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 123.503 0.502 . . . . 0.0 111.323 -175.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.442 ' HE2' ' HB3' ' A' ' 54' ' ' GLN . 67.4 mttm -64.73 -58.87 5.08 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.513 0.725 . . . . 0.0 111.205 -178.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.0 tpp -64.71 -39.52 93.78 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 123.407 0.442 . . . . 0.0 111.297 -174.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -67.21 -37.33 83.44 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 119.38 -0.343 . . . . 0.0 111.66 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -41.93 44.45 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 117.928 0.331 . . . . 0.0 111.194 -177.075 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.53 -34.37 72.21 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 123.14 0.275 . . . . 0.0 110.359 -177.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -53.69 41.9 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.396 0.678 . . . . 0.0 110.007 173.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 . . . . . 0 N--CA 1.489 1.482 0 C-N-CA 124.466 1.106 . . . . 0.0 111.072 -178.945 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 78.3 m95 . . . . . 0 N--CA 1.471 0.598 0 CA-C-O 121.253 0.549 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.6 m -78.17 160.7 27.85 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.19 0.996 . . . . 0.0 109.751 173.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.514 ' HA ' ' HB3' ' A' ' 6' ' ' MET . 37.5 mt-10 -54.25 -18.21 3.68 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.463 1.105 . . . . 0.0 113.869 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -66.77 -57.38 7.2 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.258 0.623 . . . . 0.0 111.353 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.6 pm0 -77.66 -30.37 52.03 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.176 0.59 . . . . 0.0 110.29 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.514 ' HB3' ' HA ' ' A' ' 3' ' ' GLU . 49.9 ttm -66.41 -34.75 78.65 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.921 0.888 . . . . 0.0 110.541 174.219 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.04 -35.71 53.14 Favored Glycine 0 C--N 1.349 1.282 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.989 175.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.408 HG22 HG12 ' A' ' 27' ' ' VAL . 20.0 m -72.13 -28.54 63.33 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.118 0.567 . . . . 0.0 110.176 174.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.01 -39.97 60.84 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.844 0.858 . . . . 0.0 109.897 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.59 -47.42 86.31 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.426 1.09 . . . . 0.0 109.803 174.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 58.0 tptt -61.33 -45.3 95.0 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 114.594 -1.184 . . . . 0.0 110.133 177.565 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -61.02 -48.29 86.99 Favored Glycine 0 C--N 1.349 1.251 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.617 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.421 HD22 ' HD2' ' A' ' 18' ' ' ARG . 29.5 mt -57.98 -38.16 75.55 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.201 1.0 . . . . 0.0 110.496 178.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.67 -57.27 12.65 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.218 0.607 . . . . 0.0 109.42 175.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 11' ' ' LYS . 37.4 mm-40 -63.32 -46.63 85.76 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.311 0.645 . . . . 0.0 111.942 -172.17 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -90.68 -12.84 35.54 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.9 0.88 . . . . 0.0 112.106 -172.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.71 57.72 4.06 Favored Glycine 0 CA--C 1.532 1.137 0 CA-C-O 120.083 -0.287 . . . . 0.0 112.899 173.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.421 ' HD2' HD22 ' A' ' 13' ' ' LEU . 4.9 tpt180 70.35 7.72 6.33 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 124.729 1.211 . . . . 0.0 112.555 171.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.505 ' O ' HG12 ' A' ' 23' ' ' ILE . 24.4 t-20 -75.4 94.76 3.12 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.172 0.589 . . . . 0.0 109.971 -175.29 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.705 ' HE3' ' HG ' ' A' ' 35' ' ' CYS . 66.1 m95 -53.38 -35.32 60.19 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.938 1.295 . . . . 0.0 113.039 -172.183 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.458 ' HA ' HG22 ' A' ' 32' ' ' VAL . 17.3 m -65.64 -43.79 88.38 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 124.052 0.845 . . . . 0.0 110.912 -178.108 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.48 -37.12 82.4 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.672 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.541 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 7.5 mm -74.06 -46.47 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 122.779 0.432 . . . . 0.0 110.301 -173.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.51 -26.76 68.86 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.321 0.648 . . . . 0.0 111.072 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -80.22 -36.48 34.71 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.8 0.84 . . . . 0.0 110.559 174.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.4 ttt -73.94 -60.67 2.15 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.662 0.785 . . . . 0.0 111.532 -174.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.408 HG12 HG22 ' A' ' 8' ' ' THR . 15.8 m -87.06 -38.38 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.441 0.696 . . . . 0.0 111.834 -175.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.08 -45.97 5.76 Favored Glycine 0 C--N 1.346 1.114 0 CA-C-N 116.381 -0.372 . . . . 0.0 113.4 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.3 t 60.96 29.74 19.2 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.282 1.033 . . . . 0.0 109.713 -163.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -125.25 -169.01 1.92 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.843 1.257 . . . . 0.0 110.372 -173.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.412 HG22 ' H ' ' A' ' 33' ' ' SER . 25.0 m -60.87 147.55 42.57 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.758 1.223 . . . . 0.0 111.731 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.458 HG22 ' HA ' ' A' ' 21' ' ' SER . 95.3 t -56.29 -33.04 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 C-N-CA 123.978 0.911 . . . . 0.0 111.76 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.412 ' H ' HG22 ' A' ' 31' ' ' THR . 20.7 t -58.21 -29.16 65.48 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.409 1.084 . . . . 0.0 112.068 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -59.02 -49.42 77.98 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.58 0.752 . . . . 0.0 111.581 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.705 ' HG ' ' HE3' ' A' ' 20' ' ' TRP . 50.0 t -67.97 -38.35 82.65 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.949 0.5 . . . . 0.0 111.244 -176.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -64.73 -56.56 12.93 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.803 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -60.39 -36.61 78.49 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 123.96 0.787 . . . . 0.0 110.928 -175.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.474 ' HZ ' ' HG3' ' A' ' 6' ' ' MET . 15.1 t80 -54.29 -44.92 72.36 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.684 0.793 . . . . 0.0 110.682 172.235 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -73.0 -17.67 61.43 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.075 0.55 . . . . 0.0 111.233 -176.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 . . . . . 0 N--CA 1.485 1.291 0 C-N-CA 123.116 0.567 . . . . 0.0 110.959 172.952 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.64 -37.97 74.23 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.268 0.627 . . . . 0.0 111.385 174.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 9.0 tp10 -72.71 -48.85 35.36 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.463 176.026 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.9 mt -55.67 -36.1 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 C-N-CA 124.578 1.151 . . . . 0.0 111.297 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.409 ' HG ' ' HD3' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -71.25 -44.4 65.37 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.442 -178.161 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -59.13 -43.79 91.99 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.294 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.504 ' HB3' ' HE3' ' A' ' 58' ' ' LYS . 86.8 mm-40 -61.3 -43.01 99.59 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.681 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -56.41 -41.72 76.79 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 123.548 0.53 . . . . 0.0 110.865 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -64.73 -61.76 1.99 Allowed 'General case' 0 C--N 1.348 0.524 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.259 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 pp -66.56 -31.15 71.68 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 123.909 0.756 . . . . 0.0 112.893 -168.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.504 ' HE3' ' HB3' ' A' ' 54' ' ' GLN . 95.1 mttt -63.96 -51.24 65.27 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.164 0.586 . . . . 0.0 110.672 177.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 53.3 ttm -67.62 -36.5 80.93 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 123.985 0.803 . . . . 0.0 110.611 178.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -63.75 -49.98 70.85 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.498 1.119 . . . . 0.0 112.061 -176.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -71.69 -38.53 70.57 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.972 0.509 . . . . 0.0 111.707 -175.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -35.12 63.92 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -177.468 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -70.36 -33.68 71.74 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.098 0.559 . . . . 0.0 110.342 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 . . . . . 0 CA--C 1.551 0.985 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.924 174.02 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 38.0 m95 . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.4 m -63.12 162.13 12.25 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 123.691 0.796 . . . . 0.0 110.483 176.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -51.53 -29.43 16.78 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.607 1.163 . . . . 0.0 113.162 -174.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.2 -55.46 24.83 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.334 0.654 . . . . 0.0 110.824 -177.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.5 pm0 -78.61 -27.21 45.48 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.445 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 44.8 tpp -53.25 -52.87 57.58 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.751 0.82 . . . . 0.0 111.409 177.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.59 -34.01 88.75 Favored Glycine 0 C--N 1.344 1.001 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.905 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.623 HG22 HG12 ' A' ' 27' ' ' VAL . 28.4 m -70.36 -38.97 74.88 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.007 0.923 . . . . 0.0 111.006 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.555 ' HA ' HG11 ' A' ' 27' ' ' VAL . . . -77.48 -37.57 51.01 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.301 0.64 . . . . 0.0 110.454 -178.118 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -62.25 -42.63 99.5 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 123.966 0.791 . . . . 0.0 109.726 173.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -61.19 -41.8 97.46 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.864 0.865 . . . . 0.0 110.118 175.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.51 -48.99 77.8 Favored Glycine 0 C--N 1.345 1.048 0 O-C-N 123.46 0.475 . . . . 0.0 113.01 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.428 ' HB3' HD21 ' A' ' 48' ' ' LEU . 46.4 mt -69.0 -26.76 65.18 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.106 0.962 . . . . 0.0 110.49 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.9 tp -76.07 -39.03 56.31 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 123.25 0.62 . . . . 0.0 110.885 176.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -93.5 -62.72 1.31 Allowed 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 120.942 0.401 . . . . 0.0 110.787 -173.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -79.39 -29.25 41.96 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.873 0.869 . . . . 0.0 111.72 -174.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.471 ' HA2' HD11 ' A' ' 52' ' ' LEU . . . 100.76 -155.63 19.31 Favored Glycine 0 C--N 1.343 0.948 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.991 178.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -88.58 19.5 3.89 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.505 0.722 . . . . 0.0 112.284 -176.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.445 ' O ' HG12 ' A' ' 23' ' ' ILE . 28.5 m-80 -74.38 87.55 2.04 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 177.159 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -60.25 -27.75 67.48 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.816 0.846 . . . . 0.0 112.023 -168.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.1 t -67.0 -38.09 85.38 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.256 0.622 . . . . 0.0 110.761 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.98 -44.97 45.24 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.666 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 19' ' ' ASN . 26.6 mm -67.38 -52.48 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.078 -174.198 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 31' ' ' THR . . . -68.29 -22.33 64.73 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -174.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -80.72 -33.48 35.21 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 122.85 0.46 . . . . 0.0 110.073 176.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 55.7 ttp -77.94 -59.18 2.89 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.54 0.736 . . . . 0.0 111.452 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.623 HG12 HG22 ' A' ' 8' ' ' THR . 3.8 m -85.71 -42.36 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.203 1.001 . . . . 0.0 111.563 -171.209 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.03 -39.84 11.12 Favored Glycine 0 C--N 1.35 1.336 0 O-C-N 123.587 0.554 . . . . 0.0 112.187 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.6 t 65.39 10.26 6.4 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.127 1.371 . . . . 0.0 112.036 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -133.68 -78.23 0.47 Allowed 'General case' 0 C--N 1.36 1.031 0 O-C-N 121.84 -0.537 . . . . 0.0 111.719 -172.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.402 ' O ' ' HB1' ' A' ' 24' ' ' ALA . 19.2 m -125.23 136.99 54.1 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.018 0.527 . . . . 0.0 111.407 -165.267 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.6 -40.89 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 123.657 0.783 . . . . 0.0 111.18 175.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.3 m -57.95 -28.8 64.65 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.111 0.964 . . . . 0.0 111.856 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -62.09 -49.06 77.45 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.537 0.735 . . . . 0.0 111.381 -178.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 51.9 t -72.92 -26.6 61.46 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.15 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.431 ' HE2' ' HB3' ' A' ' 36' ' ' LYS . 37.0 mtpt -65.61 -41.7 92.43 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.393 171.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -66.64 -29.91 70.05 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.478 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -50.54 -44.86 56.51 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 124.066 0.946 . . . . 0.0 110.331 172.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -64.79 -33.49 76.1 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 114.148 -1.387 . . . . 0.0 112.25 -172.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 . . . . . 0 N--CA 1.478 0.973 0 C-N-CA 123.033 0.533 . . . . 0.0 111.936 -173.677 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.428 HD21 ' HB3' ' A' ' 13' ' ' LEU . 3.0 tm? . . . . . 0 CA--C 1.543 0.687 0 CA-C-O 120.907 0.384 . . . . 0.0 111.344 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -64.64 -32.18 73.72 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.364 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 40.2 tt0 -74.33 -39.17 63.01 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.098 0.559 . . . . 0.0 110.255 177.226 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.2 mt -57.3 -46.84 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 123.368 0.667 . . . . 0.0 110.542 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.471 HD11 ' HA2' ' A' ' 17' ' ' GLY . 4.5 mm? -72.29 -31.27 65.58 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.721 178.412 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -65.45 -49.82 67.7 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.81 0.444 . . . . 0.0 110.654 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 80.3 mm-40 -60.96 -48.92 79.6 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 124.159 0.912 . . . . 0.0 109.678 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -53.18 -46.0 68.75 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 123.68 0.612 . . . . 0.0 111.394 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -59.71 -57.39 13.14 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 123.756 0.66 . . . . 0.0 110.776 -177.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 pp -68.33 -30.02 68.9 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.595 0.56 . . . . 0.0 111.783 -173.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.538 ' HA ' ' HE3' ' A' ' 61' ' ' LYS . 59.4 mtpt -68.29 -49.91 57.23 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.075 0.55 . . . . 0.0 111.158 178.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 37.5 mmt -65.6 -42.75 91.29 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 123.616 0.573 . . . . 0.0 109.931 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -69.87 -41.76 74.38 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.358 -171.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.538 ' HE3' ' HA ' ' A' ' 58' ' ' LYS . 23.1 pttp -67.46 -41.69 84.25 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 123.032 0.208 . . . . 0.0 111.37 -174.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -27.67 60.61 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.465 0.306 . . . . 0.0 110.507 178.347 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -68.77 -40.21 79.84 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.131 0.972 . . . . 0.0 110.134 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 . . . . . 0 N--CA 1.471 0.581 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.746 176.079 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 40.5 m95 . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.5 m -76.38 163.89 26.54 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 123.719 0.808 . . . . 0.0 109.416 174.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.529 ' HA ' ' HB2' ' A' ' 6' ' ' MET . 38.3 mt-10 -57.18 -19.37 20.26 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -176.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -63.14 -57.52 10.28 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.461 0.704 . . . . 0.0 110.607 175.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -77.56 -29.45 52.2 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.25 0.62 . . . . 0.0 110.9 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.529 ' HB2' ' HA ' ' A' ' 3' ' ' GLU . 84.0 mmm -63.53 -38.97 93.17 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.206 0.602 . . . . 0.0 110.907 172.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.93 -32.39 53.34 Favored Glycine 0 C--N 1.343 0.924 0 O-C-N 123.817 0.698 . . . . 0.0 112.768 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.403 HG22 HG12 ' A' ' 27' ' ' VAL . 32.6 m -77.32 -29.57 53.67 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.229 0.612 . . . . 0.0 110.61 175.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.08 -33.07 61.63 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.368 0.667 . . . . 0.0 109.592 174.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.521 ' HG2' HD13 ' A' ' 51' ' ' ILE . 1.2 tmtp? -64.65 -51.93 60.01 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.204 1.001 . . . . 0.0 109.662 174.411 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -59.73 -38.76 82.6 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.0 1.32 . . . . 0.0 110.014 176.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.25 -48.83 56.59 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-N 115.04 -0.982 . . . . 0.0 112.436 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.572 HD13 HD11 ' A' ' 48' ' ' LEU . 76.0 mt -66.11 -39.28 89.81 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.231 0.612 . . . . 0.0 110.871 -175.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.469 HD12 ' HB2' ' A' ' 55' ' ' HIS . 42.1 tp -59.47 -54.42 46.87 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 123.665 0.603 . . . . 0.0 110.548 175.444 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -65.65 -57.4 8.2 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.582 0.753 . . . . 0.0 110.651 -174.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.49 ' HB2' HD11 ' A' ' 23' ' ' ILE . 85.0 m-70 -78.11 -14.94 59.29 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.037 0.935 . . . . 0.0 112.974 -173.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 68.79 56.4 9.5 Favored Glycine 0 CA--C 1.538 1.479 0 CA-C-O 120.082 -0.288 . . . . 0.0 113.476 177.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.525 ' HG3' ' HG ' ' A' ' 52' ' ' LEU . 57.2 mtt180 59.63 23.11 11.86 Favored 'General case' 0 N--CA 1.5 2.052 0 C-N-CA 124.545 1.138 . . . . 0.0 113.561 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.49 ' O ' HG12 ' A' ' 23' ' ' ILE . 19.9 t-20 -75.21 86.55 2.44 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 176.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 45.3 m95 -58.84 -26.45 64.18 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 123.882 0.873 . . . . 0.0 112.232 -172.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.493 ' HA ' HG22 ' A' ' 32' ' ' VAL . 45.2 t -59.32 -47.51 85.11 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.172 0.989 . . . . 0.0 110.573 173.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.19 -38.67 63.56 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 115.008 -0.997 . . . . 0.0 111.735 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.49 HD11 ' HB2' ' A' ' 16' ' ' HIS . 19.6 mm -72.51 -42.45 63.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 122.752 0.421 . . . . 0.0 110.617 -173.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.36 -37.21 79.99 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.858 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.3 ttt85 -73.38 -38.79 65.53 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 123.497 0.719 . . . . 0.0 110.879 174.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.5 ttt -68.33 -61.46 1.83 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.39 0.676 . . . . 0.0 111.599 -172.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.403 HG12 HG22 ' A' ' 8' ' ' THR . 18.9 m -87.17 -42.9 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 123.189 0.595 . . . . 0.0 111.708 -176.054 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.19 -41.21 8.67 Favored Glycine 0 C--N 1.346 1.122 0 CA-C-N 115.503 -0.771 . . . . 0.0 114.031 -174.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t 58.81 30.1 19.62 Favored 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 124.491 1.116 . . . . 0.0 109.474 -162.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -129.31 172.74 11.18 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.911 1.285 . . . . 0.0 110.076 -167.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.6 m -45.47 142.15 2.37 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 126.039 1.736 . . . . 0.0 113.46 176.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.493 HG22 ' HA ' ' A' ' 21' ' ' SER . 76.5 t -55.8 -37.27 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 C-N-CA 123.969 0.907 . . . . 0.0 111.149 178.467 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.428 ' HA ' ' HE3' ' A' ' 36' ' ' LYS . 15.6 m -54.22 -35.29 62.27 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.623 1.169 . . . . 0.0 112.241 178.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -63.05 -54.36 39.35 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.999 0.52 . . . . 0.0 111.923 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.411 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 44.0 t -71.78 -32.82 68.05 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-O 121.179 0.514 . . . . 0.0 111.179 -176.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.428 ' HE3' ' HA ' ' A' ' 33' ' ' SER . 24.9 ttpp -67.54 -46.77 71.82 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.308 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -74.57 -24.95 58.99 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.727 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.46 ' HZ ' ' SD ' ' A' ' 6' ' ' MET . 41.9 t80 -59.95 -24.56 64.48 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.473 0.709 . . . . 0.0 111.228 176.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.408 ' HE1' HD12 ' A' ' 48' ' ' LEU . 3.3 t80 -63.78 -16.53 61.44 Favored 'General case' 0 CA--C 1.56 1.357 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 . . . . . 0 CA--C 1.559 1.302 0 C-N-CA 124.765 1.226 . . . . 0.0 110.655 177.456 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.572 HD11 HD13 ' A' ' 13' ' ' LEU . 2.5 tm? . . . . . 0 N--CA 1.483 1.202 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -66.26 -38.35 87.65 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.061 -172.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 12.7 pt-20 -62.04 -37.03 83.39 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.578 0.751 . . . . 0.0 110.363 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.521 HD13 ' HG2' ' A' ' 10' ' ' LYS . 92.5 mt -54.73 -46.23 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.198 0.999 . . . . 0.0 111.348 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.525 ' HG ' ' HG3' ' A' ' 18' ' ' ARG . 4.3 mm? -77.54 -33.64 54.1 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.647 -178.35 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -65.48 -38.7 90.52 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 17.8 mm-40 -70.85 -42.36 70.22 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.942 176.373 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.469 ' HB2' HD12 ' A' ' 14' ' ' LEU . 27.1 t-80 -54.19 -45.54 72.18 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.105 0.562 . . . . 0.0 110.217 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -59.33 -53.79 54.2 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.004 0.921 . . . . 0.0 112.062 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.3 -25.28 63.25 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.643 0.377 . . . . 0.0 111.717 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.534 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 7.5 mtpm? -72.03 -49.64 35.13 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 122.941 0.497 . . . . 0.0 110.501 175.632 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 17.7 mmt -53.33 -38.79 63.54 Favored 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 124.021 0.928 . . . . 0.0 110.327 175.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -69.15 -53.99 17.25 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 114.372 -1.286 . . . . 0.0 111.63 178.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.534 ' HG2' ' HA ' ' A' ' 58' ' ' LYS . 21.2 ptmt -69.26 -38.4 78.39 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -169.555 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.21 -38.58 78.65 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.047 0.539 . . . . 0.0 110.705 -177.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -73.47 -37.3 65.83 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.097 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 57.9 t30 . . . . . 0 N--CA 1.474 0.767 0 C-N-CA 122.889 0.476 . . . . 0.0 110.472 178.874 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 73.1 m95 . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.9 m -67.91 150.25 48.77 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 171.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -61.03 -23.23 65.27 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-N 118.278 0.49 . . . . 0.0 111.512 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -62.65 -56.33 18.72 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.607 0.763 . . . . 0.0 111.241 175.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -72.62 -29.1 63.19 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.191 0.596 . . . . 0.0 110.841 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 37.9 ttm -66.91 -31.5 72.14 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.139 0.976 . . . . 0.0 110.874 177.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.37 -35.06 75.43 Favored Glycine 0 C--N 1.347 1.149 0 O-C-N 123.675 0.609 . . . . 0.0 112.429 174.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.6 m -69.42 -36.36 76.61 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.625 0.77 . . . . 0.0 110.323 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.23 -45.6 76.28 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.037 175.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -59.24 -42.82 91.99 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.968 1.307 . . . . 0.0 111.444 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -72.9 -34.94 66.96 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.32 0.648 . . . . 0.0 110.521 178.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.47 -44.9 92.32 Favored Glycine 0 C--N 1.347 1.141 0 N-CA-C 112.176 -0.37 . . . . 0.0 112.176 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.552 HD23 HG13 ' A' ' 23' ' ' ILE . 43.0 mt -63.26 -24.36 67.84 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.946 1.298 . . . . 0.0 111.053 177.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.7 tt -75.48 -58.19 3.43 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 122.772 0.429 . . . . 0.0 109.954 170.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.76 -63.07 1.43 Allowed 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 124.127 0.971 . . . . 0.0 111.98 -170.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -82.14 -25.83 34.02 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.453 -173.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.19 -175.17 23.68 Favored Glycine 0 C--N 1.336 0.563 0 N-CA-C 110.159 -1.176 . . . . 0.0 110.159 -166.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.466 ' HG3' HD22 ' A' ' 13' ' ' LEU . 40.6 ttp180 -85.06 32.32 0.54 Allowed 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 117.586 0.693 . . . . 0.0 110.948 -178.26 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.439 ' O ' HG12 ' A' ' 23' ' ' ILE . 39.7 m-20 -75.25 88.48 2.52 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.559 1.143 . . . . 0.0 108.687 -177.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -58.88 -25.75 63.63 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -166.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.461 ' HA ' HG22 ' A' ' 32' ' ' VAL . 42.6 t -68.99 -42.39 76.58 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 117.949 0.34 . . . . 0.0 110.349 177.357 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.89 -41.82 64.25 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.028 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.552 HG13 HD23 ' A' ' 13' ' ' LEU . 40.1 mm -69.55 -37.72 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.172 0.589 . . . . 0.0 110.529 -175.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.21 -22.44 57.95 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.01 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -82.24 -26.02 33.6 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.032 0.533 . . . . 0.0 110.123 172.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.5 ttt -76.07 -60.52 2.29 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.534 0.734 . . . . 0.0 110.627 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 23' ' ' ILE . 19.0 m -85.97 -47.74 16.36 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 C-N-CA 123.044 0.538 . . . . 0.0 111.743 -174.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.59 -41.33 9.08 Favored Glycine 0 C--N 1.352 1.437 0 C-N-CA 122.83 0.252 . . . . 0.0 113.018 -178.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.2 t 56.86 23.71 8.43 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 125.205 1.402 . . . . 0.0 112.119 -173.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -136.01 -69.14 0.49 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.955 0.502 . . . . 0.0 111.903 -172.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 60.8 m -133.59 131.51 39.75 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -169.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.461 HG22 ' HA ' ' A' ' 21' ' ' SER . 68.0 t -63.05 -42.78 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 C-N-CA 124.473 1.109 . . . . 0.0 111.401 177.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.9 m -56.6 -44.04 80.73 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.873 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -57.41 -45.24 84.8 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -172.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 47.8 t -77.05 -33.41 57.28 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.451 -178.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -70.64 -46.93 62.38 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.195 0.598 . . . . 0.0 110.814 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -61.21 -32.9 72.67 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.726 1.21 . . . . 0.0 111.342 -175.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -48.06 -45.51 32.4 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.584 1.153 . . . . 0.0 111.584 175.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -58.39 -30.69 67.01 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.506 -175.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 . . . . . 0 CA--C 1.547 0.84 0 C-N-CA 124.308 1.043 . . . . 0.0 111.916 -174.79 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.525 ' HA ' HD13 ' A' ' 51' ' ' ILE . 2.9 tm? . . . . . 0 CA--C 1.55 0.949 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -54.7 -43.21 72.34 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.533 1.133 . . . . 0.0 111.572 173.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 12.3 pt-20 -73.81 -23.8 59.72 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 123.252 0.345 . . . . 0.0 111.279 -178.066 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.525 HD13 ' HA ' ' A' ' 48' ' ' LEU . 1.8 mp -64.96 -46.96 90.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 C-N-CA 123.234 0.614 . . . . 0.0 109.535 175.241 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.403 HD23 HD13 ' A' ' 48' ' ' LEU . 4.4 mm? -66.72 -38.51 86.83 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.858 176.297 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -67.57 -41.29 84.42 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.372 0.669 . . . . 0.0 111.229 -177.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 14.9 mm-40 -65.15 -47.69 76.18 Favored 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -61.89 -30.06 70.62 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 123.573 0.546 . . . . 0.0 110.873 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -70.49 -52.01 25.0 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.969 0.908 . . . . 0.0 111.421 -179.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 pp -72.25 -27.74 62.69 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.021 0.528 . . . . 0.0 111.46 -176.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.432 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 97.0 mttt -73.73 -40.45 63.55 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 174.295 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 57.3 ttp -57.25 -36.4 70.93 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.877 0.871 . . . . 0.0 111.316 178.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -68.67 -58.73 3.82 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.765 177.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.432 ' HG2' ' HA ' ' A' ' 58' ' ' LYS . 59.7 pttt -65.05 -33.88 77.1 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 123.467 0.48 . . . . 0.0 112.009 -170.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -77.36 -32.55 55.12 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.726 0.41 . . . . 0.0 110.806 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -74.64 -35.31 62.87 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.335 0.654 . . . . 0.0 109.694 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 CA--C 1.542 0.66 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.562 173.429 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 99.5 m95 . . . . . 0 N--CA 1.473 0.706 0 CA-C-O 121.145 0.498 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.0 m -78.14 155.5 30.44 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.552 1.141 . . . . 0.0 109.361 173.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.4 ' HA ' ' HB3' ' A' ' 6' ' ' MET . 43.9 mt-10 -57.21 -20.86 29.54 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -175.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -73.23 -55.23 6.72 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.68 0.392 . . . . 0.0 110.5 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -68.72 -30.39 69.02 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 122.891 0.477 . . . . 0.0 110.684 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.4 ' HB3' ' HA ' ' A' ' 3' ' ' GLU . 46.6 tpp -66.16 -38.45 88.13 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.381 1.072 . . . . 0.0 110.555 175.105 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.23 -36.78 71.23 Favored Glycine 0 C--N 1.344 0.973 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.347 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.6 m -73.98 -28.78 61.65 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.271 0.628 . . . . 0.0 110.217 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.31 -50.14 42.36 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 177.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HG3' HD13 ' A' ' 51' ' ' ILE . 76.5 tttt -55.88 -42.24 75.63 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.898 1.279 . . . . 0.0 111.137 173.494 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -67.55 -35.59 79.35 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 123.786 0.679 . . . . 0.0 110.251 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.24 -46.01 67.07 Favored Glycine 0 C--N 1.341 0.855 0 CA-C-N 116.079 -0.509 . . . . 0.0 112.155 174.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.7 mt -65.3 -23.46 67.03 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.589 1.156 . . . . 0.0 110.724 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.527 HD12 ' HB2' ' A' ' 55' ' ' HIS . 63.2 tp -75.26 -60.56 2.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.033 0.533 . . . . 0.0 109.625 171.272 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -75.66 -60.69 2.2 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.247 0.619 . . . . 0.0 111.547 -168.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -67.7 -41.13 84.09 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 121.547 0.689 . . . . 0.0 110.328 176.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.62 -167.62 16.64 Favored Glycine 0 CA--C 1.523 0.546 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.964 -170.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 46.5 mtm180 -82.73 50.0 1.6 Allowed 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 121.592 0.71 . . . . 0.0 110.997 176.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.445 ' O ' HG12 ' A' ' 23' ' ' ILE . 70.7 m-20 -88.83 90.9 8.61 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 107.362 -1.348 . . . . 0.0 107.362 175.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.657 ' HE3' ' HG ' ' A' ' 35' ' ' CYS . 57.9 m95 -56.89 -38.35 72.65 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.482 1.113 . . . . 0.0 113.066 -163.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.1 t -62.3 -50.38 71.9 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.178 0.591 . . . . 0.0 110.557 175.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.54 -40.94 96.49 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.413 0.685 . . . . 0.0 111.857 -176.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 19' ' ' ASN . 25.1 mm -75.22 -39.57 42.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 123.052 0.541 . . . . 0.0 110.436 -175.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.51 -23.8 62.72 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.269 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -82.7 -28.85 30.26 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.345 0.658 . . . . 0.0 110.775 170.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.2 ttt -74.41 -61.21 1.95 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.008 0.523 . . . . 0.0 110.943 -176.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.8 m -88.92 -46.23 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 122.84 0.456 . . . . 0.0 111.955 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.31 -24.99 62.24 Favored Glycine 0 C--N 1.344 0.986 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.653 -175.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.6 t 65.09 13.42 8.69 Favored 'General case' 0 CA--C 1.559 1.321 0 C-N-CA 124.803 1.241 . . . . 0.0 112.06 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -140.29 -147.53 0.22 Allowed 'General case' 0 CA--C 1.566 1.561 0 C-N-CA 123.866 0.867 . . . . 0.0 110.567 -170.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.454 HG22 ' H ' ' A' ' 33' ' ' SER . 56.0 m -67.62 148.87 50.81 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.196 1.398 . . . . 0.0 112.984 -170.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.9 p -47.98 -32.36 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 C-N-CA 125.719 1.607 . . . . 0.0 113.007 177.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.454 ' H ' HG22 ' A' ' 31' ' ' THR . 58.2 m -52.43 -33.88 46.08 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.787 1.235 . . . . 0.0 113.507 -177.112 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -58.37 -49.56 76.79 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.957 0.503 . . . . 0.0 111.963 -174.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.657 ' HG ' ' HE3' ' A' ' 20' ' ' TRP . 35.8 t -77.09 -31.52 55.98 Favored 'General case' 0 N--CA 1.481 1.102 0 O-C-N 123.52 0.512 . . . . 0.0 110.937 -175.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.38 -48.33 75.89 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.266 0.627 . . . . 0.0 111.285 175.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -71.79 -41.9 67.74 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.833 -177.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -49.13 -46.96 45.81 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 124.358 1.063 . . . . 0.0 111.654 176.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.459 ' HE1' HD12 ' A' ' 48' ' ' LEU . 25.6 t80 -65.81 -40.68 92.11 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.775 -169.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 . . . . . 0 CA--C 1.556 1.177 0 C-N-CA 123.467 0.707 . . . . 0.0 112.387 -172.56 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.479 ' HA ' HD12 ' A' ' 51' ' ' ILE . 2.3 tm? . . . . . 0 CA--C 1.549 0.935 0 CA-C-O 120.651 0.262 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -61.99 -39.55 92.59 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.431 0.692 . . . . 0.0 111.134 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -72.16 -36.94 69.44 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.687 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 48' ' ' LEU . 82.0 mt -57.98 -42.42 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 124.086 0.954 . . . . 0.0 111.315 179.06 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.447 HD23 HD13 ' A' ' 48' ' ' LEU . 4.1 mm? -67.11 -46.47 74.08 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.172 177.509 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -59.64 -45.85 90.75 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.842 0.857 . . . . 0.0 110.992 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.442 ' HB3' ' HE2' ' A' ' 58' ' ' LYS . 18.0 mm-40 -60.88 -52.21 66.01 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 124.062 0.851 . . . . 0.0 110.524 179.568 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.527 ' HB2' HD12 ' A' ' 14' ' ' LEU . 68.6 t60 -55.88 -41.26 74.17 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.322 0.649 . . . . 0.0 111.339 -178.126 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -60.42 -58.47 8.35 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.251 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 pp -74.14 -28.56 61.39 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.968 0.507 . . . . 0.0 112.239 -171.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.442 ' HE2' ' HB3' ' A' ' 54' ' ' GLN . 68.5 mttm -67.67 -48.49 66.47 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 176.486 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 49.0 ttm -68.0 -29.89 69.02 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 123.92 0.763 . . . . 0.0 111.128 177.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -71.95 -44.47 63.53 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 122.916 0.486 . . . . 0.0 111.188 -177.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -69.68 -39.99 76.66 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.693 -174.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.72 -34.76 72.26 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 123.336 0.398 . . . . 0.0 109.961 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -60.97 -44.0 97.98 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.369 1.068 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 64.4 t30 . . . . . 0 C--O 1.219 -0.519 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.701 178.642 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 83.8 m95 . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.607 0.241 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.5 m -71.34 155.6 40.47 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.683 1.193 . . . . 0.0 109.58 172.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.408 ' HA ' ' HB2' ' A' ' 6' ' ' MET . 42.0 mt-10 -61.04 -20.99 63.19 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -178.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -66.25 -55.59 15.42 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.337 0.655 . . . . 0.0 110.688 174.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -74.89 -27.78 60.37 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.561 0.745 . . . . 0.0 111.452 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.408 ' HB2' ' HA ' ' A' ' 3' ' ' GLU . 8.6 mmt -59.62 -45.57 91.56 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.894 0.878 . . . . 0.0 110.167 169.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.31 -36.3 92.57 Favored Glycine 0 C--N 1.343 0.963 0 CA-C-N 114.979 -1.01 . . . . 0.0 112.735 175.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.3 m -69.29 -33.52 73.33 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.544 0.738 . . . . 0.0 111.13 176.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.4 ' HA ' HG11 ' A' ' 27' ' ' VAL . . . -76.22 -38.37 56.5 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.452 0.701 . . . . 0.0 110.286 178.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -67.1 -47.49 71.04 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.458 0.703 . . . . 0.0 109.761 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -72.04 -31.95 66.65 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.974 0.91 . . . . 0.0 110.078 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.86 -56.38 14.86 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.893 176.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.466 HD23 HG13 ' A' ' 23' ' ' ILE . 44.8 mt -61.28 -32.19 72.02 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.111 0.964 . . . . 0.0 111.051 177.237 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.2 tp -58.36 -57.83 11.16 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.828 0.851 . . . . 0.0 110.133 175.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -78.77 -59.98 2.56 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.763 0.825 . . . . 0.0 112.517 -171.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -79.76 -7.1 58.44 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.697 0.799 . . . . 0.0 111.724 -170.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.531 ' HA2' HD11 ' A' ' 52' ' ' LEU . . . 87.13 -174.71 45.83 Favored Glycine 0 C--N 1.343 0.968 0 N-CA-C 112.062 -0.415 . . . . 0.0 112.062 -176.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -86.06 35.43 0.64 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.479 0.712 . . . . 0.0 111.171 178.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -81.34 95.86 7.14 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.259 1.024 . . . . 0.0 108.261 178.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.509 ' HE3' ' HG ' ' A' ' 35' ' ' CYS . 26.8 m95 -60.23 -32.23 70.93 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.693 0.797 . . . . 0.0 112.025 -168.179 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.414 ' HA ' HG22 ' A' ' 32' ' ' VAL . 32.2 t -65.53 -39.0 91.27 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.398 0.679 . . . . 0.0 111.395 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.81 -46.36 58.45 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.429 0.692 . . . . 0.0 110.476 -177.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.554 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 24.9 mm -73.34 -29.92 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.136 -175.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.444 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . . . -62.63 -32.28 73.29 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.175 0.59 . . . . 0.0 112.235 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -81.45 -37.82 27.4 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 175.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.3 ttt -64.63 -59.47 4.24 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.25 0.62 . . . . 0.0 111.189 -176.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 23' ' ' ILE . 13.1 m -88.04 -46.2 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.233 0.613 . . . . 0.0 112.305 -178.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.1 -43.81 7.93 Favored Glycine 0 C--N 1.349 1.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 113.193 -171.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.3 m 55.35 29.13 12.47 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.927 1.291 . . . . 0.0 111.845 -173.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -139.04 -80.91 0.31 Allowed 'General case' 0 C--N 1.354 0.778 0 C-N-CA 122.392 0.277 . . . . 0.0 111.403 -169.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.414 HG22 ' H ' ' A' ' 33' ' ' SER . 27.6 m -139.94 151.72 45.79 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.569 0.748 . . . . 0.0 110.227 -174.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.444 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 95.3 t -63.75 -32.8 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 123.599 0.76 . . . . 0.0 111.79 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.414 ' H ' HG22 ' A' ' 31' ' ' THR . 21.7 m -57.37 -26.78 61.57 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.957 0.903 . . . . 0.0 112.532 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -63.34 -52.18 62.85 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.8 0.44 . . . . 0.0 110.846 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.554 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 53.0 t -74.82 -32.01 61.84 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.521 -178.012 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -74.41 -47.45 33.79 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.627 0.771 . . . . 0.0 111.101 -176.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -74.79 -20.01 59.96 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.336 0.654 . . . . 0.0 111.036 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -58.99 -37.79 77.67 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.087 0.555 . . . . 0.0 109.879 170.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -71.55 -18.56 62.25 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.214 1.005 . . . . 0.0 111.721 -176.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.2 m-30 . . . . . 0 N--CA 1.484 1.233 0 C-N-CA 123.267 0.627 . . . . 0.0 111.144 -179.911 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 tm? . . . . . 0 CA--C 1.548 0.895 0 CA-C-O 121.092 0.472 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -64.07 -38.49 91.27 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.628 0.771 . . . . 0.0 111.189 173.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -70.79 -34.35 71.67 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.265 0.626 . . . . 0.0 110.402 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.4 mt -62.74 -43.42 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.302 0.641 . . . . 0.0 109.703 177.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.531 HD11 ' HA2' ' A' ' 17' ' ' GLY . 4.3 mm? -68.77 -35.39 76.99 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.549 175.134 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.98 -36.96 75.6 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 122.976 0.511 . . . . 0.0 110.381 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -66.5 -40.63 89.34 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.196 0.598 . . . . 0.0 110.173 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -65.37 -37.05 85.85 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 123.718 0.636 . . . . 0.0 110.31 176.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -67.68 -61.41 1.9 Allowed 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.549 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 pp -62.48 -36.48 82.62 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.749 0.819 . . . . 0.0 111.569 -171.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -64.03 -60.07 3.69 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 123.51 0.506 . . . . 0.0 110.048 175.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 51.3 ttm -60.24 -30.71 69.59 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 123.742 0.651 . . . . 0.0 111.248 -176.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -65.73 -60.1 3.24 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.918 0.887 . . . . 0.0 109.845 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -71.35 -33.58 69.72 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.908 -171.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.32 -30.61 57.76 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.465 0.306 . . . . 0.0 110.682 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -67.74 -55.0 14.79 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 174.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 . . . . . 0 N--CA 1.476 0.844 0 O-C-N 123.307 0.379 . . . . 0.0 111.203 179.812 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 55.5 m95 . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 120.735 0.303 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 34.1 m -107.47 161.58 14.7 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 124.405 1.082 . . . . 0.0 109.069 176.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -53.91 -19.23 4.24 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -56.16 -58.98 5.62 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-O 121.353 0.597 . . . . 0.0 110.575 171.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -81.18 -34.32 32.43 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.102 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 89.3 mtp -75.33 -23.29 57.24 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.407 0.683 . . . . 0.0 112.022 -177.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.1 -42.42 58.7 Favored Glycine 0 C--N 1.338 0.674 0 N-CA-C 111.642 -0.583 . . . . 0.0 111.642 174.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.9 m -68.44 -36.73 79.45 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.349 0.66 . . . . 0.0 110.583 175.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.77 -48.95 74.88 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.425 0.69 . . . . 0.0 110.09 176.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -61.04 -41.26 96.25 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.653 1.181 . . . . 0.0 110.836 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -62.66 -39.72 94.78 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.454 0.702 . . . . 0.0 109.559 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.27 -42.01 96.44 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.513 176.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.486 HD13 HD23 ' A' ' 48' ' ' LEU . 35.4 mt -67.19 -32.77 74.07 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.872 0.869 . . . . 0.0 110.766 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 tt -80.93 -31.69 34.94 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.655 0.782 . . . . 0.0 111.881 177.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -84.41 -60.09 2.18 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-O 121.29 0.567 . . . . 0.0 110.59 -175.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -81.04 -57.84 3.34 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.452 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 135.17 -163.72 24.84 Favored Glycine 0 C--N 1.341 0.806 0 CA-C-N 114.302 -1.317 . . . . 0.0 110.561 -170.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -83.96 24.62 0.89 Allowed 'General case' 0 CA--C 1.565 1.544 0 CA-C-N 117.642 0.721 . . . . 0.0 111.218 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.452 ' O ' HG12 ' A' ' 23' ' ' ILE . 1.8 m-20 -67.93 96.26 0.58 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.611 1.164 . . . . 0.0 109.299 -179.611 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -50.77 -47.83 59.46 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.854 1.261 . . . . 0.0 112.542 -167.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.9 t -61.98 -44.42 96.78 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.724 0.81 . . . . 0.0 111.64 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.72 -33.23 75.19 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.759 0.424 . . . . 0.0 111.474 -177.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.52 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 10.5 mm -82.03 -39.2 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-O 121.038 0.446 . . . . 0.0 110.294 179.309 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.97 -39.17 90.15 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.995 0.918 . . . . 0.0 111.693 -176.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -81.11 -23.5 38.35 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.796 0.838 . . . . 0.0 110.915 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.2 ttt -72.27 -59.79 2.56 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.946 0.498 . . . . 0.0 110.67 177.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.3 m -85.62 -48.96 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 122.706 0.403 . . . . 0.0 111.798 -174.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.09 -30.08 32.31 Favored Glycine 0 C--N 1.344 0.974 0 CA-C-O 119.768 -0.462 . . . . 0.0 113.773 -176.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.1 t 61.59 32.44 18.6 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.372 1.069 . . . . 0.0 109.674 -169.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.526 ' HG3' ' H ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -135.24 -178.19 4.99 Favored 'General case' 0 CA--C 1.556 1.193 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.823 -168.44 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.526 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 20.3 m -47.75 148.79 1.43 Allowed 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 126.21 1.804 . . . . 0.0 113.412 -179.172 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.1 p -50.9 -31.21 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 C-N-CA 124.996 1.318 . . . . 0.0 112.829 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.2 m -57.39 -32.86 67.24 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.114 1.366 . . . . 0.0 112.504 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -56.77 -55.22 37.02 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.242 1.017 . . . . 0.0 111.655 -173.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.52 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 34.6 t -70.55 -29.45 65.91 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 120.984 0.421 . . . . 0.0 111.191 -178.178 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -72.07 -33.84 68.25 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.566 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -78.03 -22.01 49.87 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.069 0.548 . . . . 0.0 111.095 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -65.16 -30.92 71.88 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.057 0.543 . . . . 0.0 110.36 170.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.53 ' HE1' ' HG ' ' A' ' 48' ' ' LEU . 16.2 t80 -63.41 -28.76 70.2 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.702 0.801 . . . . 0.0 112.713 -171.236 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 . . . . . 0 CA--C 1.547 0.846 0 C-N-CA 123.654 0.781 . . . . 0.0 110.522 -178.112 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.53 ' HG ' ' HE1' ' A' ' 39' ' ' TYR . 3.3 tm? . . . . . 0 CA--C 1.541 0.603 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -59.26 -33.74 71.4 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.512 178.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -64.15 -53.61 46.74 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.456 0.702 . . . . 0.0 109.918 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.2 mt -58.23 -49.43 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.381 -174.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -73.99 -41.61 61.66 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 114.657 -1.156 . . . . 0.0 111.728 -174.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -63.8 -42.53 97.7 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 122.715 0.406 . . . . 0.0 110.84 -177.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -68.02 -45.88 72.77 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.266 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -59.77 -40.84 89.57 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 122.459 0.304 . . . . 0.0 110.372 174.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -59.66 -54.46 46.2 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.415 1.086 . . . . 0.0 111.431 -176.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 pp -74.9 -30.18 61.21 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -175.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.534 ' HA ' ' HE3' ' A' ' 61' ' ' LYS . 67.1 mttm -66.51 -47.69 72.16 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 122.641 0.376 . . . . 0.0 110.254 176.095 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 51.9 ttp -67.41 -34.77 77.95 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 114.966 -1.016 . . . . 0.0 111.017 -177.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -74.74 -44.54 49.31 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.535 0.734 . . . . 0.0 110.758 -173.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.534 ' HE3' ' HA ' ' A' ' 58' ' ' LYS . 22.5 pttp -65.89 -39.19 90.4 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.68 0.392 . . . . 0.0 111.198 -175.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.88 -23.89 52.59 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.8 177.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -64.13 -48.58 75.53 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 176.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 . . . . . 0 N--CA 1.487 1.389 0 C-N-CA 122.513 0.325 . . . . 0.0 110.79 176.155 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 75.1 m95 . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.9 m -76.17 170.28 16.6 Favored 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 124.438 1.095 . . . . 0.0 109.481 171.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -61.72 -21.57 64.61 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -171.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -72.18 -51.74 19.8 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.845 0.858 . . . . 0.0 110.916 -176.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -77.7 -29.69 51.45 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.618 0.767 . . . . 0.0 110.321 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 45.5 tpp -59.14 -38.06 78.77 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.067 0.947 . . . . 0.0 109.862 168.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.77 -28.07 59.72 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-N 115.184 -0.917 . . . . 0.0 113.307 177.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 m -72.29 -33.16 67.21 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.101 0.561 . . . . 0.0 109.638 173.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.79 -29.36 50.8 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.957 0.903 . . . . 0.0 110.755 175.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.543 ' HG2' HD13 ' A' ' 51' ' ' ILE . 4.9 tmtm? -63.86 -47.58 80.16 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.666 0.786 . . . . 0.0 108.969 172.27 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -63.68 -41.58 98.13 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.756 1.222 . . . . 0.0 110.785 176.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.84 -58.88 8.27 Favored Glycine 0 C--N 1.343 0.95 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.124 -178.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.409 HD23 HG13 ' A' ' 23' ' ' ILE . 23.5 mt -59.61 -30.29 68.58 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.205 1.002 . . . . 0.0 110.771 -179.179 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 tt -60.93 -61.76 2.35 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 172.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -67.92 -59.94 2.89 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.548 0.739 . . . . 0.0 110.703 -170.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.469 ' HB2' HD11 ' A' ' 23' ' ' ILE . 76.8 m-70 -64.89 -25.61 67.97 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 115.201 -0.908 . . . . 0.0 111.52 -176.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.34 63.61 2.34 Favored Glycine 0 C--N 1.352 1.423 0 O-C-N 123.159 0.287 . . . . 0.0 112.634 175.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.414 ' HB2' HD11 ' A' ' 52' ' ' LEU . 28.5 ttp180 56.6 24.07 8.39 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.334 1.454 . . . . 0.0 113.611 177.641 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.474 ' O ' HG12 ' A' ' 23' ' ' ILE . 6.8 m-80 -77.61 84.47 3.98 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 174.37 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.781 ' HE3' ' HG ' ' A' ' 35' ' ' CYS . 68.5 m95 -55.46 -31.47 61.99 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.758 1.223 . . . . 0.0 112.207 -169.186 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.3 t -63.9 -50.33 69.17 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.338 0.655 . . . . 0.0 110.078 176.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.72 -34.47 77.24 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.47 -178.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.523 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 20.1 mm -78.66 -41.98 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.319 0.648 . . . . 0.0 110.072 -176.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.74 -31.0 71.15 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.951 178.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.8 mtp85 -82.03 -38.14 25.44 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.688 0.795 . . . . 0.0 111.252 175.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.1 ttt -71.04 -62.61 1.33 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.154 0.582 . . . . 0.0 111.373 -175.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.3 m -89.77 -36.89 9.05 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 C-N-CA 123.568 0.747 . . . . 0.0 112.134 -177.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.37 -36.96 13.0 Favored Glycine 0 C--N 1.348 1.232 0 CA-C-N 115.879 -0.6 . . . . 0.0 113.992 -175.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 t 66.64 31.45 7.71 Favored 'General case' 0 CA--C 1.561 1.4 0 C-N-CA 124.673 1.189 . . . . 0.0 111.513 -176.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.491 ' HG2' ' H ' ' A' ' 31' ' ' THR . 64.4 tttt -157.91 -170.14 3.07 Favored 'General case' 0 CA--C 1.565 1.53 0 C-N-CA 123.243 0.617 . . . . 0.0 110.424 -175.287 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.491 ' H ' ' HG2' ' A' ' 30' ' ' LYS . 16.4 m -61.93 157.09 19.27 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.653 1.181 . . . . 0.0 113.303 -174.296 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.6 t -44.66 -36.31 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 C-N-CA 126.131 1.772 . . . . 0.0 112.93 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.2 t -48.94 -44.46 40.6 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.053 1.341 . . . . 0.0 112.455 -179.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -62.8 -37.58 87.3 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.215 0.606 . . . . 0.0 112.092 -175.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.781 ' HG ' ' HE3' ' A' ' 20' ' ' TRP . 49.3 t -71.25 -28.27 64.05 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 120.804 0.335 . . . . 0.0 110.79 177.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -71.48 -49.11 44.5 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.173 0.589 . . . . 0.0 111.634 177.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -73.13 -21.6 60.69 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.814 0.445 . . . . 0.0 111.073 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -58.13 -41.34 83.47 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.509 1.124 . . . . 0.0 110.854 170.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -63.13 -32.35 73.71 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.124 -173.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 . . . . . 0 CA--C 1.549 0.939 0 C-N-CA 124.18 0.992 . . . . 0.0 109.728 176.706 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.454 ' HA ' HD12 ' A' ' 51' ' ' ILE . 2.5 tm? . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -60.33 -42.38 95.54 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.367 0.667 . . . . 0.0 110.747 176.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 37.5 tt0 -68.42 -50.14 54.85 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.044 176.396 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.543 HD13 ' HG2' ' A' ' 10' ' ' LYS . 95.0 mt -50.59 -44.47 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 C-N-CA 124.346 1.058 . . . . 0.0 111.258 -178.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.414 HD11 ' HB2' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -70.17 -44.19 69.28 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.484 -177.128 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -66.64 -38.52 87.08 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.086 -178.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 79.7 mm-40 -69.3 -45.61 69.16 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -59.31 -36.35 75.46 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 122.857 0.463 . . . . 0.0 110.67 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -62.76 -55.69 24.26 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 123.73 0.644 . . . . 0.0 110.515 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 pp -71.72 -32.35 67.68 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 123.604 0.565 . . . . 0.0 111.868 -173.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -65.15 -55.87 16.16 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.358 0.663 . . . . 0.0 109.379 176.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 45.3 ttp -54.73 -45.75 74.15 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 124.35 1.031 . . . . 0.0 110.972 178.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -61.37 -47.99 83.33 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.632 0.773 . . . . 0.0 111.437 -173.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -73.9 -41.59 61.92 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.36 -174.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.5 -32.33 66.09 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 120.638 0.256 . . . . 0.0 110.858 -177.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -72.47 -39.47 67.7 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.616 177.176 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 . . . . . 0 N--CA 1.479 1.006 0 C-N-CA 122.964 0.506 . . . . 0.0 110.609 -179.495 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 66.2 m95 . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.5 m -69.8 161.58 29.56 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.943 0.897 . . . . 0.0 109.406 172.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -53.27 -35.54 60.16 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.035 0.934 . . . . 0.0 112.318 -173.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -60.55 -56.96 15.05 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.286 0.634 . . . . 0.0 111.378 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -74.12 -30.67 62.43 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.795 0.838 . . . . 0.0 111.228 -176.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 48.6 tpp -60.45 -43.72 96.59 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.309 1.044 . . . . 0.0 109.779 172.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.68 -28.25 65.62 Favored Glycine 0 C--N 1.351 1.391 0 CA-C-N 114.941 -1.027 . . . . 0.0 112.956 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.4 m -69.93 -42.44 73.26 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.052 0.541 . . . . 0.0 109.806 175.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.17 -54.23 40.88 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.518 177.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -49.43 -44.84 45.78 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.402 1.481 . . . . 0.0 111.805 175.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -62.19 -50.77 70.46 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.854 0.722 . . . . 0.0 110.683 -178.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.57 -31.2 79.96 Favored Glycine 0 C--N 1.346 1.128 0 O-C-N 124.063 0.852 . . . . 0.0 113.45 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.623 HD13 HD23 ' A' ' 48' ' ' LEU . 78.3 mt -78.31 -33.72 49.17 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.828 0.851 . . . . 0.0 110.697 179.286 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 tt -76.67 -25.94 54.24 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.49 0.716 . . . . 0.0 109.498 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -90.81 -63.03 1.33 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.378 0.671 . . . . 0.0 111.798 -176.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -82.1 -51.22 8.21 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.809 0.844 . . . . 0.0 110.324 -175.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.422 ' HA2' HD21 ' A' ' 52' ' ' LEU . . . 88.75 92.76 1.09 Allowed Glycine 0 C--N 1.343 0.956 0 CA-C-N 115.866 -0.606 . . . . 0.0 113.488 177.531 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 67.68 7.47 5.69 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 170.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.506 ' O ' HG12 ' A' ' 23' ' ' ILE . 19.5 m120 -79.93 77.13 6.62 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.013 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.588 ' HE3' ' SG ' ' A' ' 35' ' ' CYS . 14.2 m95 -56.1 -29.14 60.18 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.25 1.02 . . . . 0.0 112.045 -170.254 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.406 ' HA ' HG22 ' A' ' 32' ' ' VAL . 29.0 p -59.41 -51.72 68.67 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.887 0.875 . . . . 0.0 110.759 175.645 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.33 -40.05 81.74 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.234 -0.893 . . . . 0.0 111.126 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.622 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 18.3 mm -68.31 -41.77 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 O-C-N 123.499 0.499 . . . . 0.0 110.113 -175.517 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.11 -34.02 77.09 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.436 0.694 . . . . 0.0 111.543 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -79.75 -24.5 41.52 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.952 176.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.8 ttt -73.33 -55.79 5.94 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.481 0.712 . . . . 0.0 110.62 178.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 23' ' ' ILE . 28.6 m -85.64 -52.0 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 122.976 0.51 . . . . 0.0 111.621 -177.001 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.99 -37.1 11.84 Favored Glycine 0 C--N 1.341 0.832 0 CA-C-O 119.918 -0.379 . . . . 0.0 113.412 -174.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.7 t 64.31 21.48 12.52 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.287 1.035 . . . . 0.0 109.81 -163.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -120.99 -166.42 1.34 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.722 1.209 . . . . 0.0 110.144 -171.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 86.9 m -64.77 157.6 27.13 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 124.767 1.227 . . . . 0.0 111.895 179.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.406 HG22 ' HA ' ' A' ' 21' ' ' SER . 81.3 t -49.25 -30.0 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 C-N-CA 125.351 1.461 . . . . 0.0 112.725 179.063 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.4 m -46.83 -47.83 21.01 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.434 1.494 . . . . 0.0 112.331 178.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -61.12 -33.15 72.92 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 124.076 0.951 . . . . 0.0 112.863 -175.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.622 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 50.1 t -74.82 -37.56 62.26 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.055 0.455 . . . . 0.0 110.639 177.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -69.31 -28.24 66.09 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.949 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -59.03 -53.67 55.72 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.453 0.701 . . . . 0.0 109.87 174.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -50.84 -40.0 54.78 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.596 0.758 . . . . 0.0 111.789 177.003 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.489 ' HE1' HD12 ' A' ' 48' ' ' LEU . 26.0 t80 -63.12 -33.52 75.64 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.389 -173.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 N--CA 1.483 1.183 0 C-N-CA 123.459 0.704 . . . . 0.0 111.958 -177.446 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.623 HD23 HD13 ' A' ' 13' ' ' LEU . 2.8 tm? . . . . . 0 N--CA 1.476 0.827 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -50.72 -54.97 18.89 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.787 0.835 . . . . 0.0 112.281 -178.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 12.3 pt-20 -84.17 -21.96 31.14 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 118.998 -0.525 . . . . 0.0 112.114 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.73 -38.26 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 CA-C-O 121.312 0.577 . . . . 0.0 109.878 173.156 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.485 HD23 HD21 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -79.93 -30.07 39.87 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.384 179.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.412 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 23.2 tp60 -59.52 -41.43 89.96 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 170.347 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 87.3 mm-40 -62.83 -53.71 50.11 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 123.857 0.723 . . . . 0.0 109.914 174.701 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -50.94 -38.13 48.45 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.319 0.647 . . . . 0.0 111.364 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -67.12 -62.31 1.49 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.636 0.774 . . . . 0.0 110.248 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 pp -68.42 -31.9 71.57 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 123.584 0.553 . . . . 0.0 112.251 -168.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -65.32 -54.47 28.6 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.697 0.799 . . . . 0.0 111.32 -176.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 65.0 ttp -69.24 -37.85 78.2 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.587 0.555 . . . . 0.0 110.191 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -65.58 -47.9 74.21 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.161 0.584 . . . . 0.0 110.906 -174.142 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.37 -38.87 81.79 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.896 0.478 . . . . 0.0 111.398 -174.192 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -77.45 -26.54 51.6 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 123.389 0.431 . . . . 0.0 110.291 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -71.8 -44.48 63.88 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 122.967 0.507 . . . . 0.0 109.738 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 173.364 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 37.6 m95 . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.1 m -68.81 153.11 44.37 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.42 0.688 . . . . 0.0 109.782 171.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.54 ' HA ' ' HB2' ' A' ' 6' ' ' MET . 45.2 mt-10 -53.5 -19.64 3.93 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.118 0.967 . . . . 0.0 113.419 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -63.48 -57.14 11.17 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.535 0.734 . . . . 0.0 110.87 176.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 pm0 -76.98 -28.64 55.19 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.051 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.54 ' HB2' ' HA ' ' A' ' 3' ' ' GLU . 87.9 mmm -61.89 -38.46 88.4 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.975 0.51 . . . . 0.0 110.777 172.352 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.16 -40.95 71.03 Favored Glycine 0 C--N 1.345 1.047 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.317 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.5 m -68.67 -30.61 69.33 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.225 0.61 . . . . 0.0 110.671 176.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.0 -48.97 40.92 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.282 0.633 . . . . 0.0 109.422 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -57.31 -40.78 78.6 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.575 1.15 . . . . 0.0 110.463 175.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -63.59 -44.62 93.48 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.633 0.773 . . . . 0.0 109.623 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -60.57 -39.64 96.74 Favored Glycine 0 C--N 1.344 1.02 0 O-C-N 123.812 0.695 . . . . 0.0 112.524 177.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.546 HD13 HD23 ' A' ' 48' ' ' LEU . 26.4 mt -76.67 -26.48 54.84 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 123.892 0.877 . . . . 0.0 110.599 -178.249 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.8 tp -80.23 -24.77 39.96 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.298 1.039 . . . . 0.0 111.952 173.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -108.86 -64.18 1.26 Allowed 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.486 0.714 . . . . 0.0 111.502 -173.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.0 m80 -77.09 -16.59 59.15 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.734 0.814 . . . . 0.0 110.799 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.93 -147.63 23.95 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-N 115.77 -0.65 . . . . 0.0 113.16 175.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -82.41 -2.19 52.35 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.09 0.956 . . . . 0.0 111.734 -173.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.501 ' O ' HG12 ' A' ' 23' ' ' ILE . 56.9 t-20 -62.97 92.06 0.05 OUTLIER 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.642 0.777 . . . . 0.0 109.447 -176.336 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.577 ' HE3' ' HG ' ' A' ' 35' ' ' CYS . 20.0 m95 -57.52 -30.76 65.43 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.908 0.883 . . . . 0.0 111.283 -174.207 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.2 t -66.79 -44.71 80.56 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.489 0.715 . . . . 0.0 110.223 177.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.9 -35.59 77.03 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.743 0.417 . . . . 0.0 111.525 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.501 HG12 ' O ' ' A' ' 19' ' ' ASN . 11.5 mm -75.76 -42.55 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -178.236 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.66 -30.63 71.65 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.076 0.551 . . . . 0.0 110.625 177.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -77.27 -31.74 55.08 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.097 0.959 . . . . 0.0 110.547 177.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.2 ttt -78.0 -63.51 1.37 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.621 0.768 . . . . 0.0 111.656 -178.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 23' ' ' ILE . 18.8 m -88.4 -37.49 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 123.363 0.665 . . . . 0.0 112.2 -174.217 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.21 -27.48 44.34 Favored Glycine 0 C--N 1.344 1.011 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.638 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.8 t 63.85 18.41 11.14 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 124.834 1.254 . . . . 0.0 111.058 -174.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.462 ' HG2' ' H ' ' A' ' 31' ' ' THR . 57.3 tttt -137.61 -173.33 3.46 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.647 0.779 . . . . 0.0 110.342 -169.129 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.462 ' H ' ' HG2' ' A' ' 30' ' ' LYS . 7.2 m -73.83 160.19 31.8 Favored 'General case' 0 CA--C 1.57 1.745 0 C-N-CA 123.89 0.876 . . . . 0.0 112.172 -174.17 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.3 p -44.89 -32.48 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 C-N-CA 126.698 1.999 . . . . 0.0 115.655 -167.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.6 t -55.44 -33.46 63.6 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.626 0.77 . . . . 0.0 112.103 -174.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -56.96 -52.78 63.87 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 122.908 0.483 . . . . 0.0 112.186 -177.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.577 ' HG ' ' HE3' ' A' ' 20' ' ' TRP . 42.5 t -81.9 -31.87 31.21 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -175.085 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -68.34 -38.95 81.99 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -69.74 -38.05 76.68 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 119.163 -0.446 . . . . 0.0 110.258 173.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -54.25 -29.17 45.85 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.457 0.703 . . . . 0.0 111.725 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -63.73 -32.53 74.05 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 122.802 0.441 . . . . 0.0 111.531 -177.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 . . . . . 0 N--CA 1.479 0.987 0 C-N-CA 124.27 1.028 . . . . 0.0 110.463 -179.329 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.546 HD23 HD13 ' A' ' 13' ' ' LEU . 2.8 tm? . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.73 0.3 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -54.45 -43.28 71.49 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.285 176.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -79.35 -37.25 37.91 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.039 0.536 . . . . 0.0 111.223 177.084 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.1 mt -57.87 -40.29 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 C-N-CA 123.016 0.526 . . . . 0.0 110.617 -177.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -75.23 -33.14 61.32 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.715 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.459 ' HG3' HD23 ' A' ' 57' ' ' LEU . 60.8 tp60 -66.98 -44.04 81.46 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 178.026 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -64.57 -42.46 95.63 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.795 0.838 . . . . 0.0 109.74 177.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -54.28 -44.64 72.05 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.69 0.619 . . . . 0.0 110.43 175.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -68.56 -61.42 1.83 Allowed 'General case' 0 CA--C 1.542 0.654 0 O-C-N 123.851 0.719 . . . . 0.0 111.634 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.459 HD23 ' HG3' ' A' ' 53' ' ' GLN . 4.3 pp -64.28 -32.56 74.21 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.105 0.562 . . . . 0.0 112.043 -168.694 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -76.13 -35.63 59.16 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.232 0.613 . . . . 0.0 110.834 177.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 49.0 tpp -63.73 -53.46 50.82 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -64.4 -28.75 69.9 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.011 0.924 . . . . 0.0 111.43 -178.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -64.44 -57.03 10.43 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.349 0.659 . . . . 0.0 110.433 177.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.87 -30.24 65.21 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.465 -178.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.4 ttp85 -74.68 -39.23 62.12 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.297 0.639 . . . . 0.0 109.879 -175.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 66.9 t30 . . . . . 0 N--CA 1.476 0.861 0 C-N-CA 122.672 0.389 . . . . 0.0 110.212 176.562 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 60.8 m95 . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 120.636 0.255 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.437 HG22 ' H ' ' A' ' 4' ' ' GLU . 92.0 m -75.14 152.93 38.45 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.096 0.959 . . . . 0.0 109.437 170.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -55.33 -23.83 25.9 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.75 0.82 . . . . 0.0 112.717 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.437 ' H ' HG22 ' A' ' 2' ' ' THR . 41.1 mt-10 -73.55 -54.61 7.79 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.219 0.608 . . . . 0.0 111.159 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -68.61 -30.3 69.0 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 122.676 0.39 . . . . 0.0 110.552 178.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 47.8 ttm -68.35 -36.34 79.09 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.306 1.042 . . . . 0.0 110.097 174.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.74 -29.09 65.91 Favored Glycine 0 C--N 1.349 1.258 0 CA-C-N 115.338 -0.847 . . . . 0.0 112.758 174.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.5 m -78.58 -29.37 46.15 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.46 0.704 . . . . 0.0 109.747 176.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.516 ' O ' ' HG ' ' A' ' 13' ' ' LEU . . . -68.44 -48.16 65.31 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 173.248 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -53.45 -41.47 66.16 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 124.725 1.265 . . . . 0.0 110.518 172.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -64.29 -41.57 96.81 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.657 0.783 . . . . 0.0 110.599 177.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.16 -34.9 89.58 Favored Glycine 0 C--N 1.342 0.89 0 O-C-N 123.415 0.447 . . . . 0.0 113.043 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 9' ' ' ALA . 36.9 mt -76.12 -27.62 57.14 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.635 0.774 . . . . 0.0 109.909 177.177 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.1 tp -78.37 -26.36 46.6 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.204 1.002 . . . . 0.0 111.24 173.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -91.73 -63.21 1.28 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.567 0.747 . . . . 0.0 111.083 -174.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -90.83 -43.31 10.13 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.149 0.98 . . . . 0.0 110.68 -177.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.48 -170.29 13.32 Favored Glycine 0 C--O 1.243 0.658 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.746 -168.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.487 ' HG2' HD22 ' A' ' 13' ' ' LEU . 63.7 mtm180 -86.44 53.62 2.87 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.181 0.593 . . . . 0.0 112.093 -177.495 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.453 ' O ' HG12 ' A' ' 23' ' ' ILE . 19.4 t-20 -86.14 92.13 8.65 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 169.203 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 43.2 m95 -53.13 -46.13 68.65 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.833 1.253 . . . . 0.0 112.758 -165.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.8 t -67.22 -38.51 85.4 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.266 0.627 . . . . 0.0 111.757 -177.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.76 -41.16 79.25 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 122.723 0.409 . . . . 0.0 111.028 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.453 HG12 ' O ' ' A' ' 19' ' ' ASN . 29.7 mm -74.46 -32.52 30.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.168 -178.441 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.31 -25.65 61.65 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 122.829 0.451 . . . . 0.0 110.747 175.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -81.97 -29.03 32.36 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.15 0.58 . . . . 0.0 110.149 173.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.1 ttt -72.38 -62.36 1.47 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.207 0.603 . . . . 0.0 110.554 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 23' ' ' ILE . 12.2 m -89.85 -41.34 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.316 0.646 . . . . 0.0 112.286 -174.162 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.18 -25.89 50.21 Favored Glycine 0 C--N 1.345 1.067 0 CA-C-N 116.033 -0.531 . . . . 0.0 113.092 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.9 t 58.42 31.39 20.9 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.567 1.147 . . . . 0.0 110.613 -175.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.492 ' HG3' ' H ' ' A' ' 31' ' ' THR . 9.2 tppt? -148.8 -165.02 2.16 Favored 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 123.549 0.74 . . . . 0.0 109.457 -169.089 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.492 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 10.2 t -72.11 165.2 24.8 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.65 0.78 . . . . 0.0 112.513 -176.636 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.1 p -46.48 -35.55 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 C-N-CA 125.963 1.705 . . . . 0.0 113.976 -177.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.4 t -50.75 -36.93 39.11 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.752 1.221 . . . . 0.0 112.865 -172.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -65.3 -45.88 82.63 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.97 0.508 . . . . 0.0 112.171 -173.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 44.7 t -80.73 -37.9 29.73 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.316 0.247 . . . . 0.0 111.143 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -73.69 -49.23 26.8 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.699 0.4 . . . . 0.0 111.029 -171.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -68.16 -32.71 73.16 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 119.17 -0.443 . . . . 0.0 110.964 177.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -56.67 -42.45 79.03 Favored 'General case' 0 N--CA 1.483 1.223 0 O-C-N 123.229 0.331 . . . . 0.0 110.86 171.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -77.95 -38.31 45.55 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.555 -174.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 . . . . . 0 N--CA 1.482 1.16 0 C-N-CA 123.293 0.637 . . . . 0.0 110.886 -179.113 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.519 ' HA ' HD12 ' A' ' 51' ' ' ILE . 2.9 tm? . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 119.967 -0.064 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -54.06 -41.08 67.75 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.192 0.597 . . . . 0.0 111.259 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 34.2 tt0 -67.01 -49.08 66.44 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.538 175.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.519 HD12 ' HA ' ' A' ' 48' ' ' LEU . 77.7 mt -56.63 -39.86 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 C-N-CA 124.778 1.231 . . . . 0.0 111.439 -176.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -69.91 -41.29 74.87 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.423 -178.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -63.1 -36.15 82.63 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.393 175.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 85.0 mm-40 -63.52 -46.5 85.75 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 123.398 0.437 . . . . 0.0 109.835 -179.581 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -52.13 -42.53 63.39 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.755 0.822 . . . . 0.0 111.227 174.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -66.57 -52.31 46.88 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.706 0.803 . . . . 0.0 111.851 -178.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 pp -72.85 -27.06 61.7 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -172.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.427 ' HE2' ' HB3' ' A' ' 54' ' ' GLN . 65.9 mttm -65.72 -48.42 72.0 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 174.504 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 48.7 ttm -66.41 -36.04 81.83 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 124.296 0.998 . . . . 0.0 111.245 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -67.39 -48.11 68.33 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.018 0.927 . . . . 0.0 111.431 -178.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 pttm -65.11 -39.58 93.32 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.478 0.711 . . . . 0.0 110.556 -174.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -81.02 -28.92 35.25 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.268 0.627 . . . . 0.0 110.706 -173.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.0 ttm105 -66.45 -49.55 66.3 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 123.745 0.653 . . . . 0.0 109.713 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 . . . . . 0 N--CA 1.471 0.576 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.853 178.592 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 98.6 m95 . . . . . 0 N--CA 1.478 0.948 0 CA-C-O 120.786 0.327 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 48.0 m -92.79 165.1 13.09 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.227 1.011 . . . . 0.0 108.676 169.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.536 ' HA ' ' HB3' ' A' ' 6' ' ' MET . 40.3 tt0 -51.27 -25.29 5.48 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 124.713 1.205 . . . . 0.0 113.329 -178.338 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -63.5 -56.53 15.34 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.031 0.932 . . . . 0.0 111.176 -178.053 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -77.94 -29.33 49.9 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.18 0.592 . . . . 0.0 111.085 176.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.536 ' HB3' ' HA ' ' A' ' 3' ' ' GLU . 31.4 tpp -62.93 -33.28 75.02 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 123.99 0.916 . . . . 0.0 110.452 176.573 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.82 -30.97 50.78 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-N 115.587 -0.733 . . . . 0.0 113.01 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.8 m -74.28 -34.75 63.65 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.348 0.659 . . . . 0.0 109.927 174.073 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.78 -37.2 76.26 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.346 0.658 . . . . 0.0 110.108 174.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.507 ' HG2' HD13 ' A' ' 51' ' ' ILE . 1.4 tmtp? -58.96 -47.86 83.6 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.545 1.138 . . . . 0.0 109.622 172.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -64.2 -36.23 83.38 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 124.33 1.019 . . . . 0.0 110.498 -178.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.6 -46.33 90.39 Favored Glycine 0 C--N 1.345 1.058 0 O-C-N 123.748 0.655 . . . . 0.0 112.262 175.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.5 mt -70.64 -24.17 62.67 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 123.737 0.815 . . . . 0.0 110.89 179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.0 tp -77.03 -37.71 54.31 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.74 0.816 . . . . 0.0 111.219 175.504 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -89.35 -63.61 1.26 Allowed 'General case' 0 N--CA 1.478 0.969 0 CA-C-O 121.215 0.531 . . . . 0.0 110.663 -176.266 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -73.38 -38.55 65.63 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.796 -176.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.54 -162.79 16.58 Favored Glycine 0 C--N 1.338 0.67 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.173 -172.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -79.26 36.77 0.3 Allowed 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.69 0.796 . . . . 0.0 112.083 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.429 ' O ' HG12 ' A' ' 23' ' ' ILE . 71.4 m-20 -77.95 79.27 4.42 Favored 'General case' 0 C--N 1.346 0.452 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 172.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.628 ' HE3' ' HG ' ' A' ' 35' ' ' CYS . 72.6 m95 -56.15 -36.15 67.96 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.17 0.988 . . . . 0.0 112.28 -168.343 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.0 p -62.71 -43.1 99.67 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.417 0.687 . . . . 0.0 111.105 175.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.3 -35.82 71.42 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.097 0.559 . . . . 0.0 111.456 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.432 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 22.2 mm -74.33 -39.02 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.33 -28.53 68.74 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.973 175.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -31.82 53.32 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.343 0.657 . . . . 0.0 110.457 176.194 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.4 ttt -77.25 -62.63 1.59 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.651 0.78 . . . . 0.0 111.403 -175.504 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 23' ' ' ILE . 22.1 m -88.06 -37.97 11.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 122.96 0.504 . . . . 0.0 111.651 -173.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.77 -41.85 8.61 Favored Glycine 0 C--N 1.345 1.036 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.802 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.1 t 59.43 26.61 15.57 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.66 1.184 . . . . 0.0 110.013 -165.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -127.4 -175.41 3.44 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.213 1.405 . . . . 0.0 110.239 -174.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 56.9 m -61.92 155.37 23.7 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.082 0.953 . . . . 0.0 111.66 -179.36 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.2 p -48.48 -33.56 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 C-N-CA 124.566 1.146 . . . . 0.0 112.616 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.3 m -49.15 -35.84 17.71 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.304 1.442 . . . . 0.0 112.59 177.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -59.7 -52.13 66.83 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.882 0.873 . . . . 0.0 111.069 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.628 ' HG ' ' HE3' ' A' ' 20' ' ' TRP . 41.5 t -75.12 -25.99 58.86 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 122.675 0.39 . . . . 0.0 111.402 -179.095 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -65.81 -61.07 2.27 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 122.649 0.38 . . . . 0.0 111.359 178.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -66.83 -28.69 68.56 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.702 0.401 . . . . 0.0 110.644 -176.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -48.53 -43.61 35.52 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.574 1.15 . . . . 0.0 111.155 170.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -70.92 -23.71 62.31 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.884 -173.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 . . . . . 0 N--CA 1.475 0.785 0 C-N-CA 123.342 0.657 . . . . 0.0 110.065 175.971 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 tm? . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -64.0 -43.12 96.64 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.418 176.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -72.13 -31.72 66.26 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.304 0.242 . . . . 0.0 110.446 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.507 HD13 ' HG2' ' A' ' 10' ' ' LYS . 86.0 mt -62.72 -45.92 97.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.764 0.826 . . . . 0.0 110.471 177.301 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -77.96 -25.82 48.44 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.642 178.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -65.25 -53.64 41.31 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.451 0.7 . . . . 0.0 109.692 177.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -67.42 -42.66 82.86 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.005 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -61.62 -31.38 71.46 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.337 0.398 . . . . 0.0 111.519 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -72.56 -54.54 8.89 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.814 0.446 . . . . 0.0 111.066 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 pp -69.74 -26.81 64.5 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.221 0.326 . . . . 0.0 111.185 -177.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.488 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 54.9 mtpt -73.86 -40.53 63.19 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.907 0.483 . . . . 0.0 110.331 173.599 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 50.6 tpp -60.77 -34.38 74.38 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 123.608 0.568 . . . . 0.0 109.706 175.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -70.67 -48.74 53.31 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.604 175.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.488 ' HG2' ' HA ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.63 -34.4 75.69 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 117.865 0.302 . . . . 0.0 111.164 -173.293 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.9 -39.71 49.98 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.606 0.362 . . . . 0.0 110.72 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -69.33 -36.17 76.68 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.446 0.699 . . . . 0.0 110.481 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.3 t30 . . . . . 0 N--CA 1.474 0.767 0 C-N-CA 123.591 0.757 . . . . 0.0 109.842 177.14 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 69.4 m95 . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m -105.67 168.03 9.37 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 172.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.544 ' HA ' ' HB3' ' A' ' 6' ' ' MET . 33.3 mt-10 -65.12 -18.76 65.58 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -168.673 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -73.26 -54.8 7.52 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.594 0.758 . . . . 0.0 110.526 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.94 -30.23 68.64 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.422 0.689 . . . . 0.0 110.508 176.122 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.623 ' HG3' ' HZ ' ' A' ' 38' ' ' PHE . 35.8 ttm -63.93 -34.36 77.78 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.509 1.124 . . . . 0.0 110.901 173.191 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.08 -41.29 71.04 Favored Glycine 0 C--N 1.35 1.328 0 O-C-N 123.667 0.604 . . . . 0.0 112.446 176.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 m -65.99 -38.29 88.12 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.476 0.71 . . . . 0.0 110.353 177.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.9 -49.19 71.44 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.612 0.765 . . . . 0.0 109.92 177.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -51.25 -41.76 60.57 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.818 1.247 . . . . 0.0 111.317 175.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -62.22 -46.27 89.6 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.26 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.6 -30.3 77.53 Favored Glycine 0 C--N 1.343 0.954 0 O-C-N 123.207 0.317 . . . . 0.0 113.292 177.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.665 HD13 HD11 ' A' ' 48' ' ' LEU . 28.4 mt -79.09 -24.57 43.38 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 124.264 1.026 . . . . 0.0 110.456 178.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 tt -79.51 -31.56 42.22 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.226 1.01 . . . . 0.0 110.21 170.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -84.68 -63.77 1.28 Allowed 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.121 0.968 . . . . 0.0 111.35 -172.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -90.36 -46.67 8.23 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.416 1.086 . . . . 0.0 110.35 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.47 -154.97 16.55 Favored Glycine 0 C--O 1.236 0.277 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.949 -171.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -78.44 24.48 0.27 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.104 0.962 . . . . 0.0 113.347 -174.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.464 ' O ' HG12 ' A' ' 23' ' ' ILE . 48.7 t-20 -71.43 82.71 0.79 Allowed 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 168.442 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.413 ' HE3' ' SG ' ' A' ' 35' ' ' CYS . 53.4 m95 -61.0 -26.38 67.55 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.94 0.896 . . . . 0.0 111.352 -172.396 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.464 ' HA ' HG22 ' A' ' 32' ' ' VAL . 17.5 m -63.43 -48.43 77.8 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.714 0.806 . . . . 0.0 110.57 177.263 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.74 -36.36 80.42 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.317 0.647 . . . . 0.0 111.183 -178.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' ' 19' ' ' ASN . 9.1 mm -77.54 -44.6 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.932 -174.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.54 -21.13 64.57 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.648 0.779 . . . . 0.0 112.256 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.0 ttm-85 -77.5 -32.68 54.35 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 122.71 0.404 . . . . 0.0 110.427 172.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 62.6 ttp -77.28 -60.38 2.39 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.024 0.53 . . . . 0.0 111.059 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 23' ' ' ILE . 32.0 m -86.11 -41.7 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 123.413 0.685 . . . . 0.0 112.175 -173.265 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.79 -44.13 7.93 Favored Glycine 0 C--N 1.346 1.102 0 N-CA-C 111.842 -0.503 . . . . 0.0 111.842 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.3 m 60.54 14.77 5.11 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 125.195 1.398 . . . . 0.0 112.186 -171.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -126.7 -86.46 0.6 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.295 0.638 . . . . 0.0 111.324 -171.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.478 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 17.1 m -126.4 142.23 51.61 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.777 0.431 . . . . 0.0 110.716 -165.639 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.464 HG22 ' HA ' ' A' ' 21' ' ' SER . 62.8 t -67.67 -34.56 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 C-N-CA 123.799 0.84 . . . . 0.0 111.446 -178.415 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.8 t -57.77 -34.5 69.64 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.47 1.108 . . . . 0.0 113.099 -172.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 31' ' ' THR . 19.3 pt20 -71.73 -37.1 70.64 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -174.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.413 ' SG ' ' HE3' ' A' ' 20' ' ' TRP . 37.6 t -76.66 -31.14 57.11 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.562 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.22 -45.52 80.41 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.173 175.73 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -69.33 -35.05 75.54 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.779 0.831 . . . . 0.0 111.069 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.623 ' HZ ' ' HG3' ' A' ' 6' ' ' MET . 49.5 t80 -48.39 -40.96 27.48 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 125.453 1.501 . . . . 0.0 112.519 -175.497 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -55.89 -39.37 71.48 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 113.93 -1.486 . . . . 0.0 112.407 -173.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.4 p90 . . . . . 0 N--CA 1.48 1.054 0 C-N-CA 124.071 0.948 . . . . 0.0 111.572 -175.541 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.665 HD11 HD13 ' A' ' 13' ' ' LEU . 3.0 tm? . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.822 0.344 . . . . 0.0 110.16 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -59.19 -32.33 69.82 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.02 0.928 . . . . 0.0 111.616 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -64.49 -37.04 86.16 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.139 0.576 . . . . 0.0 111.358 176.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.558 HD13 ' HA ' ' A' ' 48' ' ' LEU . 2.1 mp -62.8 -31.65 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 C-N-CA 124.051 0.94 . . . . 0.0 110.12 -179.03 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -73.67 -37.03 65.4 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.455 176.129 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.545 ' HG3' HD23 ' A' ' 57' ' ' LEU . 25.1 tp60 -63.31 -40.68 97.99 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 173.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.728 ' HB3' ' HE2' ' A' ' 58' ' ' LYS . 87.7 mm-40 -63.57 -42.17 98.34 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.701 0.8 . . . . 0.0 110.629 176.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -53.12 -45.57 68.36 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.503 0.721 . . . . 0.0 110.909 174.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -69.19 -61.23 1.88 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.187 0.595 . . . . 0.0 111.262 -178.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.545 HD23 ' HG3' ' A' ' 53' ' ' GLN . 4.1 pp -64.81 -41.64 95.63 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 123.694 0.621 . . . . 0.0 112.193 -164.759 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.728 ' HE2' ' HB3' ' A' ' 54' ' ' GLN . 63.6 mttm -58.19 -59.96 4.5 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 123.783 0.677 . . . . 0.0 110.352 -174.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 70.5 mtm -70.53 -22.22 62.64 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.801 -174.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -77.13 -50.23 13.47 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.93 0.492 . . . . 0.0 110.855 -178.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -74.31 -37.9 63.49 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 122.999 0.52 . . . . 0.0 111.799 -173.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.03 -28.99 63.72 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.44 0.296 . . . . 0.0 110.417 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.2 ttp85 -71.09 -45.67 63.25 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.138 0.575 . . . . 0.0 109.894 176.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.8 t30 . . . . . 0 N--CA 1.476 0.842 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.575 177.674 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 91.8 m95 . . . . . 0 N--CA 1.479 1.011 0 CA-C-O 120.807 0.337 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.39 146.57 29.27 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 174.525 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.426 ' HA ' ' HB2' ' A' ' 6' ' ' MET . 45.1 mt-10 -58.81 -19.15 38.59 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -170.252 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -71.3 -49.24 44.78 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.508 0.723 . . . . 0.0 111.207 175.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -73.61 -29.58 62.46 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.07 0.462 . . . . 0.0 110.219 177.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.426 ' HB2' ' HA ' ' A' ' 3' ' ' GLU . 80.9 mtp -71.72 -23.1 61.57 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.79 0.836 . . . . 0.0 110.594 172.244 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.95 -31.81 54.69 Favored Glycine 0 C--N 1.347 1.153 0 O-C-N 123.85 0.719 . . . . 0.0 111.787 172.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.6 m -68.02 -38.03 82.1 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.213 0.605 . . . . 0.0 109.774 171.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.37 -47.24 77.07 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.546 174.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -56.04 -43.44 77.84 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.75 1.22 . . . . 0.0 110.88 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -75.59 -29.29 59.23 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.705 -176.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.95 -46.18 68.27 Favored Glycine 0 C--N 1.343 0.964 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 172.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.577 HD22 ' HG2' ' A' ' 18' ' ' ARG . 30.1 mt -67.47 -26.34 66.33 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.427 1.091 . . . . 0.0 110.481 178.268 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 tt -72.86 -60.25 2.32 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 174.132 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -71.61 -61.81 1.64 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.014 0.926 . . . . 0.0 111.258 -168.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -81.29 -30.61 33.93 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.102 -175.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.58 -174.06 22.45 Favored Glycine 0 N--CA 1.466 0.641 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.144 -176.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.577 ' HG2' HD22 ' A' ' 13' ' ' LEU . 41.7 mtm180 -83.2 43.48 0.88 Allowed 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 121.19 0.519 . . . . 0.0 112.179 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -82.04 95.8 7.54 Favored 'General case' 0 C--N 1.344 0.366 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 173.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.476 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 55.5 m95 -52.36 -36.97 55.05 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.271 1.428 . . . . 0.0 112.261 -170.431 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.3 m -60.55 -51.19 70.5 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.504 1.122 . . . . 0.0 110.984 178.243 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.92 -42.73 89.74 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.681 -176.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.444 HG13 HD23 ' A' ' 13' ' ' LEU . 22.2 mm -77.71 -38.28 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.814 -170.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.33 -20.86 61.41 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.271 175.089 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -83.08 -26.41 31.11 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 122.391 0.276 . . . . 0.0 110.814 168.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.1 ttt -76.5 -62.02 1.76 Allowed 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.189 0.596 . . . . 0.0 111.469 -176.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.4 m -86.96 -36.74 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 122.85 0.46 . . . . 0.0 111.401 177.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.23 -44.96 7.75 Favored Glycine 0 C--N 1.343 0.932 0 CA-C-N 116.046 -0.525 . . . . 0.0 113.111 -175.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.8 p 50.16 32.32 5.88 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.984 1.314 . . . . 0.0 112.883 -175.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -149.67 -75.34 0.16 Allowed 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -176.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.428 HG22 ' H ' ' A' ' 33' ' ' SER . 41.9 m -124.83 135.33 52.83 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.145 0.578 . . . . 0.0 111.353 -169.34 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.8 t -67.65 -28.79 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 C-N-CA 124.023 0.929 . . . . 0.0 111.264 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.428 ' H ' HG22 ' A' ' 31' ' ' THR . 22.7 m -59.66 -21.84 61.07 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.791 0.837 . . . . 0.0 112.563 176.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -63.63 -51.98 62.8 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 122.955 0.502 . . . . 0.0 111.594 -176.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.476 ' SG ' ' HB3' ' A' ' 20' ' ' TRP . 29.6 p -65.46 -35.66 81.58 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.095 0.558 . . . . 0.0 110.672 -178.652 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -58.65 -58.8 6.99 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.039 0.936 . . . . 0.0 111.471 176.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -69.18 -30.2 68.35 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.454 -175.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -69.33 -36.65 77.14 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 122.715 0.406 . . . . 0.0 110.44 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.451 ' HE1' HD12 ' A' ' 48' ' ' LEU . 35.3 t80 -60.44 -43.93 96.32 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -167.538 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 . . . . . 0 N--CA 1.483 1.182 0 C-N-CA 123.297 0.639 . . . . 0.0 111.922 -174.598 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.451 HD12 ' HE1' ' A' ' 39' ' ' TYR . 3.3 tm? . . . . . 0 CA--C 1.553 1.075 0 CA-C-O 120.647 0.261 . . . . 0.0 110.386 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -61.5 -35.7 78.43 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.732 0.813 . . . . 0.0 111.845 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -64.87 -37.63 88.28 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 123.708 0.63 . . . . 0.0 110.344 178.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 48' ' ' LEU . 62.1 mt -65.41 -36.57 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 123.809 0.844 . . . . 0.0 110.61 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.427 HD23 HD13 ' A' ' 48' ' ' LEU . 3.8 mm? -68.18 -43.41 78.21 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.83 173.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -62.5 -42.27 99.39 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.833 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -63.28 -54.59 34.79 Favored 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 123.877 0.871 . . . . 0.0 110.596 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -55.14 -39.72 69.76 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.104 0.562 . . . . 0.0 111.546 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -62.54 -53.93 47.34 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.332 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.01 -28.33 62.3 Favored 'General case' 0 C--O 1.214 -0.791 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.662 -174.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.457 ' HA ' ' HE2' ' A' ' 61' ' ' LYS . 25.6 mtpp -67.92 -55.65 12.0 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.462 0.705 . . . . 0.0 111.18 -176.375 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -28.09 69.15 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.167 0.587 . . . . 0.0 111.954 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -82.24 -46.8 13.22 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.83 0.452 . . . . 0.0 111.647 -178.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.457 ' HE2' ' HA ' ' A' ' 58' ' ' LYS . 63.9 pttt -68.59 -37.7 80.06 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.022 0.529 . . . . 0.0 110.398 -174.173 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -71.22 -36.09 71.73 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -59.84 -45.54 92.1 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 124.276 0.985 . . . . 0.0 109.381 177.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 . . . . . 0 CA--C 1.539 0.554 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.087 178.662 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 96.9 m95 . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.7 m -86.18 166.33 15.83 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 171.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.45 ' HA ' ' HB2' ' A' ' 6' ' ' MET . 52.7 mt-10 -61.16 -20.0 62.21 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -169.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -65.82 -54.54 25.44 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 118.282 0.492 . . . . 0.0 110.57 175.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -75.92 -28.42 58.0 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.518 0.727 . . . . 0.0 110.964 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.45 ' HB2' ' HA ' ' A' ' 3' ' ' GLU . 15.0 mmt -55.19 -47.3 75.44 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 166.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.26 -37.03 86.08 Favored Glycine 0 C--N 1.347 1.165 0 CA-C-N 114.586 -1.188 . . . . 0.0 113.56 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.7 m -71.35 -38.13 71.64 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.181 0.593 . . . . 0.0 110.716 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.65 -35.21 60.48 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.078 0.551 . . . . 0.0 110.468 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -61.37 -42.14 98.22 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.72 0.808 . . . . 0.0 110.389 172.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -68.33 -36.49 79.35 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.069 -0.968 . . . . 0.0 109.872 177.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.99 -42.82 96.61 Favored Glycine 0 C--N 1.344 1.015 0 CA-C-N 116.169 -0.468 . . . . 0.0 112.75 177.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.9 mt -70.4 -25.38 63.21 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.962 0.905 . . . . 0.0 110.326 176.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.3 tp -76.28 -25.19 54.64 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 123.84 0.856 . . . . 0.0 111.766 173.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -106.17 -63.39 1.27 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.829 -0.545 . . . . 0.0 112.166 -177.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -73.42 -28.59 62.07 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.82 0.848 . . . . 0.0 110.896 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.18 -162.5 20.0 Favored Glycine 0 C--N 1.343 0.955 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.699 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.474 ' NE ' ' HG ' ' A' ' 52' ' ' LEU . 11.4 tpp180 -76.14 9.94 2.24 Favored 'General case' 0 CA--C 1.568 1.637 0 C-N-CA 123.992 0.917 . . . . 0.0 111.861 -174.589 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.484 ' O ' HG12 ' A' ' 23' ' ' ILE . 45.9 m-80 -66.31 94.67 0.27 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.89 0.876 . . . . 0.0 110.55 178.765 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -60.12 -31.79 70.39 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.804 0.841 . . . . 0.0 112.093 -174.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.2 t -68.23 -40.48 82.02 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.64 0.776 . . . . 0.0 110.873 177.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.9 -39.41 76.24 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.243 0.617 . . . . 0.0 111.069 -177.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.598 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 18.3 mm -74.73 -37.08 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.38 -179.09 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.3 -32.85 72.7 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.866 0.866 . . . . 0.0 111.646 175.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.3 ttt85 -77.45 -39.19 47.61 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.748 0.819 . . . . 0.0 110.32 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.5 ttt -69.43 -61.39 1.81 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.064 0.546 . . . . 0.0 111.741 -173.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' ' 23' ' ' ILE . 33.0 m -88.52 -40.94 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 122.799 0.439 . . . . 0.0 112.117 -177.197 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.05 -45.53 7.54 Favored Glycine 0 C--N 1.345 1.037 0 O-C-N 123.581 0.551 . . . . 0.0 112.744 -175.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.4 t 56.59 23.14 7.36 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 124.997 1.319 . . . . 0.0 111.54 -172.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -135.42 -77.66 0.44 Allowed 'General case' 0 C--N 1.361 1.073 0 C-N-CA 123.512 0.725 . . . . 0.0 111.485 -173.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.455 HG22 ' H ' ' A' ' 33' ' ' SER . 16.5 m -136.26 143.91 44.52 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.714 0.406 . . . . 0.0 110.92 -163.302 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.8 t -66.88 -33.39 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 123.676 0.79 . . . . 0.0 110.766 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.455 ' H ' HG22 ' A' ' 31' ' ' THR . 25.2 t -56.41 -38.24 71.26 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.081 0.952 . . . . 0.0 110.983 175.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -59.74 -43.85 94.07 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 124.008 0.923 . . . . 0.0 110.961 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.598 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 42.3 t -75.82 -28.75 58.4 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.222 0.609 . . . . 0.0 111.705 178.176 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -67.59 -52.8 34.27 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.065 0.546 . . . . 0.0 110.581 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -71.64 -21.19 61.86 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.424 0.689 . . . . 0.0 111.093 -177.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.422 ' HE1' ' HA ' ' A' ' 6' ' ' MET . 21.4 t80 -50.41 -47.46 56.54 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.675 0.79 . . . . 0.0 111.137 171.356 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -72.93 -31.59 64.72 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.382 -169.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 . . . . . 0 N--CA 1.475 0.823 0 C-N-CA 123.405 0.682 . . . . 0.0 110.637 179.037 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.424 HD13 ' O ' ' A' ' 48' ' ' LEU . 3.2 tm? . . . . . 0 N--CA 1.474 0.755 0 CA-C-O 119.702 -0.189 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -58.31 -43.85 88.35 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.798 0.439 . . . . 0.0 111.568 -173.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.473 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 32.7 tt0 -69.96 -40.63 75.3 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 123.51 0.506 . . . . 0.0 110.224 176.437 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 48' ' ' LEU . 96.5 mt -55.76 -33.56 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 C-N-CA 124.262 1.025 . . . . 0.0 111.316 177.367 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.474 ' HG ' ' NE ' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -70.46 -40.73 73.51 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.727 0.811 . . . . 0.0 109.466 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -64.51 -38.09 89.81 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.075 174.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 10.6 mm-40 -63.48 -46.63 85.29 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.269 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -53.62 -42.98 68.31 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.117 0.967 . . . . 0.0 111.365 176.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -62.62 -60.84 2.96 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.337 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.54 -29.14 67.64 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 123.643 0.589 . . . . 0.0 112.45 -171.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -62.49 -52.26 64.21 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.468 0.707 . . . . 0.0 110.61 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 50.4 ttm -74.84 -31.79 61.75 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.283 -178.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.92 -46.29 75.26 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.353 0.661 . . . . 0.0 111.571 -178.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -72.58 -37.74 68.08 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 122.824 0.45 . . . . 0.0 111.145 -176.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -68.58 -36.71 79.1 Favored 'General case' 0 C--O 1.21 -1.023 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -71.08 -32.44 69.08 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.404 0.681 . . . . 0.0 111.042 177.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.0 t30 . . . . . 0 CA--C 1.548 0.884 0 C-N-CA 122.821 0.448 . . . . 0.0 110.365 176.001 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 84.3 m95 . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.1 m -91.67 157.88 16.7 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.574 0.75 . . . . 0.0 109.343 175.184 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -49.71 -21.37 1.05 Allowed 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 -173.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -75.66 -54.07 7.55 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.291 0.636 . . . . 0.0 110.954 -177.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -74.06 -29.18 61.76 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.388 0.675 . . . . 0.0 110.249 176.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 51.8 ttm -71.68 -28.88 64.02 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.361 1.064 . . . . 0.0 110.057 175.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.46 -30.16 62.79 Favored Glycine 0 C--N 1.352 1.428 0 O-C-N 123.568 0.543 . . . . 0.0 111.76 172.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.7 m -72.7 -31.72 65.22 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.341 0.656 . . . . 0.0 109.802 173.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.58 ' HA ' HG11 ' A' ' 27' ' ' VAL . . . -74.34 -37.76 63.45 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.73 0.812 . . . . 0.0 110.321 176.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.528 ' HG3' HD13 ' A' ' 51' ' ' ILE . 77.4 tttt -60.3 -54.66 43.08 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.317 1.047 . . . . 0.0 110.018 175.687 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -68.45 -28.33 66.96 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.642 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.02 -47.08 91.64 Favored Glycine 0 C--N 1.343 0.927 0 N-CA-C 112.148 -0.381 . . . . 0.0 112.148 175.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.564 HD22 ' HG2' ' A' ' 18' ' ' ARG . 90.2 mt -68.95 -29.06 67.22 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.684 0.793 . . . . 0.0 110.59 178.363 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 tt -70.01 -43.5 71.23 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.888 0.875 . . . . 0.0 109.941 174.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -77.94 -54.69 6.02 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.552 0.741 . . . . 0.0 110.773 -170.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -90.57 -8.45 50.18 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 115.091 -0.958 . . . . 0.0 112.11 -171.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 69.66 43.48 67.63 Favored Glycine 0 CA--C 1.537 1.467 0 O-C-N 123.098 0.249 . . . . 0.0 113.336 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.564 ' HG2' HD22 ' A' ' 13' ' ' LEU . 68.5 mtm180 59.85 24.38 13.4 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 124.62 1.168 . . . . 0.0 113.633 178.664 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.476 ' O ' HG12 ' A' ' 23' ' ' ILE . 35.2 t30 -69.99 92.91 0.75 Allowed 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 169.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -59.71 -26.97 66.05 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.898 0.879 . . . . 0.0 112.668 -166.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.6 m -59.97 -46.72 88.51 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.514 0.725 . . . . 0.0 110.506 174.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.98 -38.3 66.73 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.799 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 19' ' ' ASN . 22.5 mm -70.44 -52.69 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 122.853 0.461 . . . . 0.0 110.096 -174.219 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.83 -22.05 66.52 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.281 0.632 . . . . 0.0 111.701 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -79.78 -38.6 32.79 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.085 0.554 . . . . 0.0 109.544 174.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.0 ttt -74.96 -62.29 1.59 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.874 0.869 . . . . 0.0 111.266 -175.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.58 HG11 ' HA ' ' A' ' 9' ' ' ALA . 6.2 m -89.72 -35.4 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.018 0.927 . . . . 0.0 112.554 -174.224 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.82 -40.18 9.77 Favored Glycine 0 C--N 1.345 1.057 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.866 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.1 t 60.79 31.89 20.11 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 124.952 1.301 . . . . 0.0 110.914 -171.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.421 ' HG3' ' H ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -151.9 -177.04 5.9 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.866 0.866 . . . . 0.0 109.515 -174.061 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.421 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 87.7 m -50.3 153.73 1.43 Allowed 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 125.252 1.421 . . . . 0.0 113.031 174.071 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.3 t -44.81 -39.0 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 125.286 1.434 . . . . 0.0 112.726 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.3 m -49.78 -37.85 31.65 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.848 1.259 . . . . 0.0 113.545 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -56.93 -51.3 69.68 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.382 0.673 . . . . 0.0 111.876 -177.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 48.9 t -83.26 -32.35 26.47 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 122.798 0.439 . . . . 0.0 111.622 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -50.24 70.24 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.631 0.772 . . . . 0.0 109.341 -173.59 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -60.95 -47.78 84.85 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 123.756 0.66 . . . . 0.0 110.559 176.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -49.3 -39.07 29.66 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 124.425 1.078 . . . . 0.0 111.88 -176.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -53.23 -35.81 60.36 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.688 1.195 . . . . 0.0 112.959 -172.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 46.5 p90 . . . . . 0 N--CA 1.48 1.047 0 C-N-CA 123.693 0.797 . . . . 0.0 111.434 179.843 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.464 HD13 HD23 ' A' ' 52' ' ' LEU . 2.9 tm? . . . . . 0 CA--C 1.55 0.965 0 CA-C-O 120.379 0.133 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.11 -46.07 79.24 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.512 0.725 . . . . 0.0 110.815 173.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.535 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 31.8 tt0 -70.51 -30.31 67.05 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.827 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.528 HD13 ' HG3' ' A' ' 10' ' ' LYS . 82.9 mt -64.76 -31.51 54.08 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.137 0 C-N-CA 123.705 0.802 . . . . 0.0 110.42 177.013 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.464 HD23 HD13 ' A' ' 48' ' ' LEU . 4.3 mm? -79.84 -26.63 40.36 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.402 0.681 . . . . 0.0 111.45 174.115 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.468 ' HG3' HD23 ' A' ' 57' ' ' LEU . 22.6 tp60 -65.82 -35.22 80.07 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 168.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 14.4 mm100 -67.5 -37.05 82.24 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.012 0.525 . . . . 0.0 110.387 176.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -57.3 -36.68 71.39 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.59 0.756 . . . . 0.0 111.218 174.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -71.46 -62.26 1.47 Allowed 'General case' 0 C--O 1.242 0.658 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.311 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.468 HD23 ' HG3' ' A' ' 53' ' ' GLN . 3.7 pp -74.31 -41.57 60.93 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.941 -161.686 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -63.17 -24.22 67.79 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 123.216 0.606 . . . . 0.0 112.591 -175.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 45.7 ttm -83.01 -48.03 11.07 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.198 0.599 . . . . 0.0 110.592 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -83.17 -22.04 33.36 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.848 0.859 . . . . 0.0 112.705 -172.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -71.07 -50.47 33.48 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.639 0.776 . . . . 0.0 109.941 -176.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -66.55 -33.53 75.87 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.468 174.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -68.09 -39.28 82.93 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.086 0.954 . . . . 0.0 110.519 -177.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 . . . . . 0 N--CA 1.473 0.716 0 C-N-CA 123.31 0.644 . . . . 0.0 109.827 176.034 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 17.4 m95 . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.2 m -67.44 146.58 53.86 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.295 0.638 . . . . 0.0 109.693 175.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.482 ' HA ' ' HB2' ' A' ' 6' ' ' MET . 46.4 mt-10 -54.96 -20.2 8.49 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -175.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -67.25 -54.06 24.35 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.619 0.768 . . . . 0.0 110.766 175.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -73.73 -27.49 61.21 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.315 0.646 . . . . 0.0 110.944 178.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.482 ' HB2' ' HA ' ' A' ' 3' ' ' GLU . 0.6 OUTLIER -64.87 -33.77 76.81 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.268 0.627 . . . . 0.0 109.968 170.072 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.4 -30.33 62.64 Favored Glycine 0 C--N 1.352 1.424 0 O-C-N 123.631 0.582 . . . . 0.0 112.364 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.5 m -76.76 -30.44 56.55 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.555 0.742 . . . . 0.0 109.98 174.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.05 -30.84 50.0 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.675 0.79 . . . . 0.0 110.233 175.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -67.19 -45.96 75.36 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 173.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -62.32 -42.62 99.53 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.112 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.9 -55.74 22.72 Favored Glycine 0 C--N 1.343 0.963 0 O-C-N 123.535 0.522 . . . . 0.0 112.6 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.5 mt -64.86 -24.15 67.45 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.861 0.864 . . . . 0.0 111.86 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 tt -73.89 -59.15 2.85 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 172.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -69.44 -60.88 2.04 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.702 0.801 . . . . 0.0 112.2 -170.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -80.11 -12.82 59.63 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.596 0.758 . . . . 0.0 111.406 -176.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.36 -149.15 33.45 Favored Glycine 0 C--N 1.343 0.964 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 -175.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -94.64 22.17 6.56 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.157 0.583 . . . . 0.0 111.304 -176.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.477 ' O ' HG12 ' A' ' 23' ' ' ILE . 28.3 t-20 -72.9 95.38 1.95 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 175.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.411 ' HE3' ' HG ' ' A' ' 35' ' ' CYS . 28.0 m95 -57.78 -27.86 63.45 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.956 0.902 . . . . 0.0 112.229 -171.07 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.472 ' HA ' HG22 ' A' ' 32' ' ' VAL . 19.2 m -64.53 -49.17 72.3 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.594 0.757 . . . . 0.0 111.03 177.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.06 -41.86 85.72 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.944 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 19' ' ' ASN . 18.7 mm -67.72 -49.22 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.646 -177.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 31' ' ' THR . . . -68.67 -19.42 64.39 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.526 0.731 . . . . 0.0 112.53 -178.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -83.22 -31.93 26.77 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 122.91 0.484 . . . . 0.0 110.724 171.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.0 ttt -77.95 -62.35 1.7 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.678 0.791 . . . . 0.0 111.426 -177.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 23' ' ' ILE . 25.6 m -87.67 -40.27 13.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 C-N-CA 123.887 0.875 . . . . 0.0 112.1 -177.048 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.33 -39.26 12.86 Favored Glycine 0 C--N 1.352 1.462 0 CA-C-N 116.336 -0.393 . . . . 0.0 112.585 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.3 t 62.83 27.0 15.86 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 125.62 1.568 . . . . 0.0 112.778 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.9 -74.28 0.17 Allowed 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -177.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.418 ' O ' ' HB1' ' A' ' 24' ' ' ALA . 97.6 m -129.31 137.94 51.31 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.486 0.714 . . . . 0.0 111.57 -165.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.472 HG22 ' HA ' ' A' ' 21' ' ' SER . 51.6 t -60.78 -36.07 68.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 C-N-CA 124.332 1.053 . . . . 0.0 111.404 -177.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 63.0 m -60.61 -23.93 65.1 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.992 0.917 . . . . 0.0 112.53 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -61.12 -53.1 61.25 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 118.189 0.449 . . . . 0.0 110.611 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.411 ' HG ' ' HE3' ' A' ' 20' ' ' TRP . 52.8 t -72.16 -27.74 62.78 Favored 'General case' 0 N--CA 1.484 1.247 0 O-C-N 123.659 0.6 . . . . 0.0 111.267 -177.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.75 -51.01 54.16 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -72.99 -34.98 66.77 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.596 0.758 . . . . 0.0 110.404 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -51.16 -37.78 48.33 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 124.969 1.308 . . . . 0.0 111.04 170.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -72.2 -17.19 61.94 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.809 -175.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -92.71 -28.71 16.46 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.52 0.728 . . . . 0.0 111.329 176.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -75.49 -51.92 11.87 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -94.06 35.76 1.15 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.583 1.153 . . . . 0.0 110.223 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -68.89 90.03 0.42 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.309 1.044 . . . . 0.0 110.117 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -139.47 89.22 2.31 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.671 ' HD3' ' H ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -87.04 51.42 2.24 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-O 122.601 1.191 . . . . 0.0 110.392 -177.187 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -120.32 -66.1 1.09 Allowed 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 175.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -71.17 -55.93 7.14 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.948 -1.023 . . . . 0.0 110.168 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.5 -33.82 74.8 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.346 0.658 . . . . 0.0 111.248 -174.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.42 -43.33 96.86 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.316 0.646 . . . . 0.0 110.469 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -69.88 -37.17 75.96 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.825 -1.079 . . . . 0.0 110.947 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 86.0 mt -57.14 -43.88 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 C-N-CA 123.227 0.611 . . . . 0.0 110.563 177.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.41 -36.66 60.78 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.016 -178.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -68.93 -41.81 77.59 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 123.311 0.382 . . . . 0.0 110.249 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -65.29 -42.95 92.59 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.315 175.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -55.47 -39.23 70.12 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.093 0.557 . . . . 0.0 110.846 174.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -64.38 -61.96 1.9 Allowed 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.375 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 pp -71.44 -34.89 70.69 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -167.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.451 ' HA ' ' HE2' ' A' ' 61' ' ' LYS . 95.1 mttt -62.83 -51.75 65.83 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 123.143 0.577 . . . . 0.0 110.939 -177.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 48.8 tpp -69.46 -41.6 76.01 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.527 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -65.07 -44.76 87.87 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.785 0.834 . . . . 0.0 111.795 -172.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.451 ' HE2' ' HA ' ' A' ' 58' ' ' LYS . 63.3 pttt -65.51 -45.08 84.94 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 123.689 0.618 . . . . 0.0 111.014 -174.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -77.04 -27.57 54.51 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.991 0.516 . . . . 0.0 110.457 -176.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' A' ' 67' ' ' ARG . 49.9 ttp180 -66.32 -37.57 85.68 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.846 0.858 . . . . 0.0 110.04 177.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.15 -40.94 43.72 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.289 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.418 ' O ' ' HD2' ' A' ' 68' ' ' LYS . . . -68.99 -22.37 64.09 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.829 0.852 . . . . 0.0 112.24 -177.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -89.2 -12.77 39.94 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.406 0.282 . . . . 0.0 110.935 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 63' ' ' ARG . 17.5 mmm180 -99.49 38.93 1.35 Allowed 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 121.756 0.788 . . . . 0.0 110.614 175.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.418 ' HD2' ' O ' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -74.99 5.25 5.38 Favored 'General case' 0 CA--C 1.558 1.262 0 CA-C-N 114.475 -1.239 . . . . 0.0 111.124 168.458 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -72.37 70.52 0.87 Allowed 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 124.581 1.152 . . . . 0.0 110.039 171.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -167.71 122.62 1.01 Allowed 'General case' 0 C--O 1.242 0.659 0 C-N-CA 125.045 1.338 . . . . 0.0 107.561 -175.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.402 ' HB3' ' NZ ' ' A' ' 71' ' ' LYS . 1.7 ttpm? . . . . . 0 C--O 1.251 1.136 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 177.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 76.0 m95 . . . . . 0 N--CA 1.472 0.656 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.6 m -74.8 155.43 37.6 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.197 0.999 . . . . 0.0 109.891 173.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -53.9 -22.81 10.83 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -178.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -72.86 -55.76 6.19 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 122.708 0.403 . . . . 0.0 110.33 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -71.78 -30.08 65.17 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.197 0.599 . . . . 0.0 110.961 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 28.3 ttm -71.98 -39.97 68.93 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.57 0.748 . . . . 0.0 110.037 177.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.08 -31.24 69.4 Favored Glycine 0 C--N 1.346 1.127 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.738 176.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.0 m -75.55 -32.21 60.34 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.759 0.824 . . . . 0.0 110.268 175.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.25 -50.68 59.63 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.552 0.741 . . . . 0.0 109.369 175.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -56.53 -45.03 81.34 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.122 1.369 . . . . 0.0 110.422 176.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -62.4 -39.75 94.28 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.87 0.868 . . . . 0.0 110.191 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.0 -36.83 86.89 Favored Glycine 0 C--N 1.344 0.991 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.869 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.557 HD13 HD11 ' A' ' 48' ' ' LEU . 18.6 mt -72.36 -34.47 68.02 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.916 0.886 . . . . 0.0 110.169 177.291 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.1 tp -74.86 -23.45 58.41 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.344 1.058 . . . . 0.0 110.826 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -106.94 -63.78 1.25 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.07 0.548 . . . . 0.0 111.305 -174.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -74.59 -48.75 24.78 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.702 0.801 . . . . 0.0 110.323 -176.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.4 -161.89 21.46 Favored Glycine 0 C--N 1.343 0.945 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.321 -177.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -84.59 9.15 14.44 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.753 1.221 . . . . 0.0 111.525 -172.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.447 ' O ' HG12 ' A' ' 23' ' ' ILE . 86.1 m-20 -66.74 94.43 0.3 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.929 0.892 . . . . 0.0 109.519 177.009 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.493 ' HE3' ' SG ' ' A' ' 35' ' ' CYS . 50.5 m95 -61.17 -21.75 64.09 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.615 0.766 . . . . 0.0 111.876 -174.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.409 ' HA ' HG22 ' A' ' 32' ' ' VAL . 23.5 t -71.31 -43.3 67.34 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.926 0.89 . . . . 0.0 110.281 178.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.23 -41.7 94.14 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.39 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.591 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 18.1 mm -71.82 -40.59 69.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.05 -177.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.29 -38.47 91.29 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.383 0.673 . . . . 0.0 111.352 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.407 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 63.9 ttt180 -77.4 -30.9 53.78 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.622 176.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.0 ttt -66.9 -58.1 5.66 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.95 0.5 . . . . 0.0 111.003 -177.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 23' ' ' ILE . 35.0 m -87.5 -48.71 15.15 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -177.347 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.25 -37.92 11.78 Favored Glycine 0 C--N 1.343 0.941 0 O-C-N 123.441 0.463 . . . . 0.0 113.355 -176.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 25' ' ' ARG . 10.3 t 60.4 30.45 19.81 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.052 1.341 . . . . 0.0 109.861 -164.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.479 ' HG2' ' H ' ' A' ' 31' ' ' THR . 38.2 ttmt -130.69 176.51 8.13 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.315 1.046 . . . . 0.0 109.492 -172.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.479 ' H ' ' HG2' ' A' ' 30' ' ' LYS . 18.2 m -49.07 151.31 1.34 Allowed 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 125.364 1.466 . . . . 0.0 113.297 178.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.409 HG22 ' HA ' ' A' ' 21' ' ' SER . 52.1 t -51.0 -29.49 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 C-N-CA 124.909 1.284 . . . . 0.0 112.222 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.7 m -47.64 -40.68 20.3 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.21 1.404 . . . . 0.0 112.859 178.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -65.39 -44.33 87.87 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 122.571 0.348 . . . . 0.0 111.8 -175.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.591 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 53.8 t -79.13 -36.0 41.23 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.757 0.423 . . . . 0.0 111.508 -177.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -60.45 -51.7 68.35 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.091 0.556 . . . . 0.0 109.607 174.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -60.05 -40.41 89.36 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.516 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -47.0 -38.33 10.61 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 124.258 1.023 . . . . 0.0 111.977 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -55.96 -47.01 78.41 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 124.773 1.296 . . . . 0.0 110.813 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -111.12 7.78 21.49 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.673 0.789 . . . . 0.0 112.519 -177.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -98.09 -65.85 0.94 Allowed 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.056 0.542 . . . . 0.0 110.955 -175.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -73.68 -76.73 0.12 Allowed 'General case' 0 C--N 1.354 0.778 0 O-C-N 123.554 0.534 . . . . 0.0 110.455 -172.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -177.17 170.75 2.15 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.799 0.84 . . . . 0.0 109.167 -173.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp 68.68 28.85 5.54 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 125.124 1.37 . . . . 0.0 111.888 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -60.94 136.76 58.18 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.2 173.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 77.59 -41.05 0.34 Allowed 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 125.905 1.682 . . . . 0.0 111.657 -177.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -68.49 -27.68 66.35 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.511 0.724 . . . . 0.0 111.003 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.557 HD11 HD13 ' A' ' 13' ' ' LEU . 3.0 tm? -62.62 -23.05 66.86 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.932 0.893 . . . . 0.0 110.899 178.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -55.69 -34.1 64.74 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.358 0.663 . . . . 0.0 111.451 175.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -60.82 -33.7 73.42 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.383 0.673 . . . . 0.0 112.197 -175.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.1 mp -64.28 -39.31 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.407 HD21 HD22 ' A' ' 13' ' ' LEU . 3.7 mm? -79.41 -28.38 41.8 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.987 0.915 . . . . 0.0 111.568 177.009 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -71.11 -43.97 66.6 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.947 0.899 . . . . 0.0 109.469 -176.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -69.65 -41.24 75.81 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.898 0.879 . . . . 0.0 109.903 175.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -57.74 -31.83 66.84 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.622 0.769 . . . . 0.0 111.085 175.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -78.94 -61.84 1.89 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.637 0.775 . . . . 0.0 111.24 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 pp -66.92 -35.95 81.14 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.16 0.584 . . . . 0.0 112.276 -167.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -67.68 -39.72 84.47 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.187 0.595 . . . . 0.0 111.004 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 46.5 tpp -68.57 -41.16 80.1 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.974 -176.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -74.62 -38.42 62.57 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.486 0.715 . . . . 0.0 112.153 -175.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -70.53 -40.69 73.29 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 111.399 0.148 . . . . 0.0 111.399 -175.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -71.33 -32.11 68.19 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.502 0.321 . . . . 0.0 110.152 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -59.4 -48.36 81.92 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.211 1.004 . . . . 0.0 110.342 -177.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -57.66 -48.39 79.63 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 123.687 0.617 . . . . 0.0 110.391 176.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.75 -38.15 90.04 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.157 -0.929 . . . . 0.0 112.369 -175.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -87.75 -8.04 56.55 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.26 0.624 . . . . 0.0 111.744 -176.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -97.5 -19.77 18.17 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.069 0.548 . . . . 0.0 110.821 172.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -90.21 141.73 28.42 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 122.994 0.518 . . . . 0.0 109.943 173.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -156.46 118.48 3.95 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 124.205 1.002 . . . . 0.0 108.461 175.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -148.75 177.3 9.64 Favored 'General case' 0 C--O 1.243 0.721 0 C-N-CA 123.862 0.865 . . . . 0.0 109.657 -177.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.255 1.355 0 C-N-CA 123.172 0.589 . . . . 0.0 110.963 172.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 49.1 m95 . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.587 0.232 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.4 m -73.31 150.15 42.11 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.734 0.814 . . . . 0.0 109.894 174.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -57.4 -21.87 39.15 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.561 0.745 . . . . 0.0 112.52 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -70.07 -53.29 18.1 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.722 0.809 . . . . 0.0 111.054 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -69.79 -28.85 66.08 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.056 0.542 . . . . 0.0 110.819 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 89.3 mtp -73.51 -22.9 59.99 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.221 0.608 . . . . 0.0 111.139 174.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.6 -37.12 62.06 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 168.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.5 m -70.13 -32.58 70.65 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.61 0.764 . . . . 0.0 110.621 173.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' HA ' HG11 ' A' ' 27' ' ' VAL . . . -71.21 -45.54 63.15 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.409 0.684 . . . . 0.0 109.741 177.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 4.8 tmtm? -55.91 -42.82 76.64 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.052 174.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.85 -44.61 80.58 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.182 0.993 . . . . 0.0 111.214 178.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.84 -44.45 91.99 Favored Glycine 0 C--N 1.342 0.888 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.489 -177.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.7 mt -71.73 -22.86 61.56 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.363 1.065 . . . . 0.0 110.54 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 10' ' ' LYS . 4.2 tt -75.7 -32.03 59.93 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.928 0.891 . . . . 0.0 110.822 171.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -97.14 -63.3 1.15 Allowed 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 120.869 0.366 . . . . 0.0 111.979 -174.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.403 ' HB2' HD11 ' A' ' 23' ' ' ILE . 36.5 m-70 -78.35 -24.51 46.44 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.742 0.817 . . . . 0.0 111.061 -178.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.4 -162.31 31.9 Favored Glycine 0 C--N 1.344 0.991 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.879 -173.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 -80.55 22.67 0.56 Allowed 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 117.891 0.846 . . . . 0.0 112.094 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.458 ' O ' HG12 ' A' ' 23' ' ' ILE . 42.2 t30 -69.63 92.38 0.65 Allowed 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 175.432 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 35.8 m95 -60.61 -24.24 65.34 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.762 0.825 . . . . 0.0 112.318 -171.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.485 ' HA ' HG22 ' A' ' 32' ' ' VAL . 23.6 t -61.26 -53.98 49.94 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 123.545 0.528 . . . . 0.0 109.813 173.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.47 -41.34 89.16 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.264 0.626 . . . . 0.0 112.032 -176.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 19' ' ' ASN . 23.1 mm -74.68 -37.18 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.608 -173.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.45 -20.62 62.07 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 21' ' ' SER . 75.2 mtp180 -78.48 -37.51 43.19 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 169.371 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.2 ttt -76.84 -63.85 1.26 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.434 0.694 . . . . 0.0 111.949 -173.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.433 HG11 ' HA ' ' A' ' 9' ' ' ALA . 18.8 m -87.25 -39.44 13.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 123.258 0.623 . . . . 0.0 111.445 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.94 -41.31 33.22 Favored Glycine 0 C--N 1.348 1.248 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.67 -174.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.0 t 60.09 26.6 15.97 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.426 1.09 . . . . 0.0 111.415 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -143.38 -91.27 0.12 Allowed 'General case' 0 CA--C 1.555 1.164 0 O-C-N 122.192 -0.317 . . . . 0.0 111.486 -171.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 84.9 m -138.69 149.66 45.35 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.521 0.728 . . . . 0.0 110.35 -168.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.485 HG22 ' HA ' ' A' ' 21' ' ' SER . 53.7 t -52.08 -36.41 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 C-N-CA 124.622 1.169 . . . . 0.0 111.863 -177.164 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.6 t -61.46 -27.54 68.64 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.318 1.047 . . . . 0.0 112.654 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -62.14 -50.31 72.4 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.535 0.734 . . . . 0.0 111.379 -175.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.2 t -82.14 -26.42 33.52 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.367 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.05 -56.72 17.72 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 175.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -63.47 -29.63 70.88 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.176 0.991 . . . . 0.0 111.715 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -57.19 -39.02 74.52 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.453 0.701 . . . . 0.0 110.992 174.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -68.27 -17.95 64.41 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 121.074 0.464 . . . . 0.0 111.216 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -113.71 16.15 18.62 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.994 0.918 . . . . 0.0 110.567 177.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -128.62 -24.62 2.99 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.085 0.554 . . . . 0.0 111.235 -176.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.9 p90 -73.66 163.84 27.45 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 174.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.29 132.06 43.0 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 122.924 0.49 . . . . 0.0 110.987 -177.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -66.67 86.7 0.12 Allowed 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -158.5 106.99 1.94 Allowed 'General case' 0 C--O 1.24 0.604 0 N-CA-C 105.708 -1.96 . . . . 0.0 105.708 -172.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -65.32 114.08 4.51 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -138.03 -49.67 0.57 Allowed 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.455 ' HA ' HD13 ' A' ' 51' ' ' ILE . 2.4 tm? -62.81 -25.55 68.3 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 114.56 -1.2 . . . . 0.0 111.485 -177.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -59.17 -36.9 76.12 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 123.943 0.897 . . . . 0.0 111.575 175.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -71.67 -35.63 70.38 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.044 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.455 HD13 ' HA ' ' A' ' 48' ' ' LEU . 1.8 mp -59.52 -39.17 78.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 C-N-CA 123.046 0.539 . . . . 0.0 110.129 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.57 -34.33 69.87 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.47 0.708 . . . . 0.0 111.72 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.457 ' HG3' HD23 ' A' ' 57' ' ' LEU . 6.3 tp-100 -62.77 -44.1 97.08 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.042 0.537 . . . . 0.0 110.213 174.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -67.29 -38.88 85.76 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.606 0.762 . . . . 0.0 110.648 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -57.09 -39.42 74.98 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.898 0.879 . . . . 0.0 110.918 176.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -75.63 -59.79 2.6 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.331 178.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.469 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 4.3 pp -64.68 -35.74 82.03 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.836 0.454 . . . . 0.0 111.893 -164.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -69.59 -47.13 64.57 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.179 0.592 . . . . 0.0 111.304 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 39.7 tpp -62.24 -48.11 81.43 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.961 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -71.06 -35.66 72.0 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.242 -176.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 57' ' ' LEU . 26.2 ttpp -54.91 -57.8 10.19 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.511 1.124 . . . . 0.0 111.311 -179.227 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -73.03 -32.96 65.43 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.725 -176.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -71.04 -38.44 72.55 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.84 0.456 . . . . 0.0 111.18 -176.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -72.58 -43.47 63.35 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.35 0.66 . . . . 0.0 109.866 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.76 -31.13 68.91 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.431 -174.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -74.68 -35.11 62.77 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.365 0.266 . . . . 0.0 111.272 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 74.2 mtm180 -71.71 -23.82 61.7 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.968 0.507 . . . . 0.0 110.707 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -65.05 104.16 0.84 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.383 0.673 . . . . 0.0 109.955 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -151.62 82.75 1.29 Allowed 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -160.28 132.82 6.38 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.977 0.911 . . . . 0.0 109.391 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp . . . . . 0 C--O 1.255 1.356 0 C-N-CA 124.478 1.111 . . . . 0.0 108.556 -176.549 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 92.2 m95 . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.496 HG22 ' H ' ' A' ' 4' ' ' GLU . 99.2 m -66.41 146.09 54.95 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.574 1.15 . . . . 0.0 109.534 170.172 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.73 -22.97 65.83 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 118.257 0.48 . . . . 0.0 112.095 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.496 ' H ' HG22 ' A' ' 2' ' ' THR . 35.4 mt-10 -66.93 -55.2 15.61 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.019 0.928 . . . . 0.0 111.284 175.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -71.13 -29.39 65.19 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.404 0.682 . . . . 0.0 111.023 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 32.5 ttm -64.22 -37.7 88.41 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.118 1.367 . . . . 0.0 110.14 173.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.96 -32.51 60.75 Favored Glycine 0 C--N 1.346 1.104 0 O-C-N 124.021 0.826 . . . . 0.0 112.635 174.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.408 HG22 HG12 ' A' ' 27' ' ' VAL . 19.6 m -70.38 -33.02 70.91 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.253 0.621 . . . . 0.0 110.199 175.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.44 ' HB2' HG21 ' A' ' 27' ' ' VAL . . . -76.71 -35.84 57.59 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.512 0.725 . . . . 0.0 110.376 176.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.464 ' HG2' HD13 ' A' ' 51' ' ' ILE . 1.6 tmtp? -59.8 -49.06 79.17 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.659 173.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -69.19 -36.85 77.75 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.318 1.047 . . . . 0.0 110.668 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.68 -53.72 39.16 Favored Glycine 0 C--N 1.341 0.825 0 O-C-N 123.36 0.413 . . . . 0.0 112.119 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.549 ' HG ' HG21 ' A' ' 23' ' ' ILE . 24.0 mt -61.27 -40.07 92.74 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.89 0.876 . . . . 0.0 110.172 174.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.561 HD12 ' HB2' ' A' ' 55' ' ' HIS . 58.2 tp -61.14 -33.92 74.17 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 123.924 0.89 . . . . 0.0 111.536 177.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -83.89 -56.14 3.85 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 121.213 0.53 . . . . 0.0 111.353 -174.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -90.6 -28.5 18.39 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.726 0.81 . . . . 0.0 112.046 -169.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 111.24 -177.26 19.0 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 -169.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.47 ' NH2' ' HA ' ' A' ' 49' ' ' ASP . 93.6 mtt180 -82.05 56.8 3.27 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-N 117.673 0.737 . . . . 0.0 111.181 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -85.09 96.36 9.41 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.297 1.039 . . . . 0.0 108.692 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -55.36 -47.59 75.53 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.812 0.845 . . . . 0.0 111.993 -172.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.7 t -69.21 -39.54 78.53 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.16 0.584 . . . . 0.0 111.553 -177.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.29 -41.57 56.75 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.913 -171.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.549 HG21 ' HG ' ' A' ' 13' ' ' LEU . 38.2 mm -80.23 -31.57 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 122.964 0.506 . . . . 0.0 110.578 -176.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.502 ' HB1' ' O ' ' A' ' 31' ' ' THR . . . -71.9 -21.72 61.59 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.033 173.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -81.9 -28.45 32.88 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.687 0.795 . . . . 0.0 110.79 169.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.8 ttt -76.72 -65.4 0.94 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.617 0.367 . . . . 0.0 111.326 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.44 HG21 ' HB2' ' A' ' 9' ' ' ALA . 20.4 m -88.86 -41.5 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 123.307 0.643 . . . . 0.0 111.639 -174.192 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.72 -35.14 55.46 Favored Glycine 0 C--N 1.346 1.138 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.816 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.3 t 68.37 3.3 3.68 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.872 1.269 . . . . 0.0 112.948 173.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -122.4 -79.64 0.61 Allowed 'General case' 0 N--CA 1.481 1.115 0 O-C-N 121.782 -0.573 . . . . 0.0 111.603 -171.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.502 ' O ' ' HB1' ' A' ' 24' ' ' ALA . 17.4 m -138.04 165.8 25.69 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.971 0.508 . . . . 0.0 110.242 -172.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.6 t -51.23 -31.72 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 C-N-CA 125.222 1.409 . . . . 0.0 112.673 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.6 p -54.38 -33.93 60.18 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.043 1.337 . . . . 0.0 113.766 -175.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.4 mp0 -59.66 -50.53 73.52 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -175.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.411 ' H ' ' HB2' ' A' ' 24' ' ' ALA . 51.5 t -72.58 -28.95 63.11 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.541 0.336 . . . . 0.0 110.672 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -65.0 -53.91 38.75 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.442 0.697 . . . . 0.0 111.483 177.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -71.19 -24.9 62.31 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 122.456 0.302 . . . . 0.0 111.346 -177.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -63.8 -38.4 90.98 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-O 121.147 0.499 . . . . 0.0 110.625 173.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -80.09 -49.92 11.07 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.632 0.773 . . . . 0.0 111.959 -175.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -95.75 -60.62 1.61 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.556 0.742 . . . . 0.0 112.055 -169.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -63.69 -42.71 97.95 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 124.241 1.016 . . . . 0.0 111.548 -175.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -77.74 149.51 34.52 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.589 0.756 . . . . 0.0 110.427 -176.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -63.63 113.42 3.33 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.379 177.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.633 ' H ' ' HD3' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -58.36 80.2 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 124.727 1.211 . . . . 0.0 112.119 179.293 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -122.68 -5.79 8.62 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.016 0.927 . . . . 0.0 110.314 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.8 pm0 -71.16 -25.08 62.39 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.663 0.785 . . . . 0.0 109.948 167.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 58.77 44.93 16.35 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.724 1.21 . . . . 0.0 110.772 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -66.47 -29.9 70.12 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.489 -166.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.47 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 36.3 t70 -63.29 -47.91 80.31 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 123.31 0.381 . . . . 0.0 111.918 -175.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.534 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 12.6 pt-20 -68.89 -33.76 74.3 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 122.797 0.439 . . . . 0.0 111.049 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.464 HD13 ' HG2' ' A' ' 10' ' ' LYS . 86.1 mt -61.64 -45.56 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 124.024 0.93 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.468 HD11 ' O ' ' A' ' 13' ' ' LEU . 3.9 mm? -78.0 -25.27 47.92 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.855 179.502 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -65.31 -40.18 93.42 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 175.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 70.0 mm-40 -65.94 -52.07 52.98 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.166 175.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.561 ' HB2' HD12 ' A' ' 14' ' ' LEU . 86.4 t60 -53.41 -40.24 64.95 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 123.507 0.723 . . . . 0.0 111.435 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -60.6 -59.3 5.6 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.605 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 pp -67.11 -30.06 69.97 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 123.503 0.502 . . . . 0.0 111.323 -175.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.442 ' HE2' ' HB3' ' A' ' 54' ' ' GLN . 67.4 mttm -64.73 -58.87 5.08 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.513 0.725 . . . . 0.0 111.205 -178.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.0 tpp -64.71 -39.52 93.78 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 123.407 0.442 . . . . 0.0 111.297 -174.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -67.21 -37.33 83.44 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 119.38 -0.343 . . . . 0.0 111.66 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -41.93 44.45 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 117.928 0.331 . . . . 0.0 111.194 -177.075 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.53 -34.37 72.21 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 123.14 0.275 . . . . 0.0 110.359 -177.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.467 ' O ' ' HG2' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -65.04 -53.69 41.9 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.396 0.678 . . . . 0.0 110.007 173.614 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -55.4 -31.18 61.63 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.466 1.106 . . . . 0.0 111.072 -178.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.57 -48.07 14.43 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.789 0.836 . . . . 0.0 112.33 178.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -75.8 -20.79 57.93 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -170.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 63' ' ' ARG . 29.4 mmm180 -74.82 -24.62 58.65 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 120.7 0.286 . . . . 0.0 110.334 176.091 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -90.2 78.27 6.59 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 173.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -76.41 97.31 4.24 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.115 -176.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -139.24 -9.26 1.29 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.333 1.053 . . . . 0.0 111.285 176.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.2 mttm . . . . . 0 C--O 1.251 1.164 0 C-N-CA 123.654 0.781 . . . . 0.0 109.316 -178.823 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 78.3 m95 . . . . . 0 N--CA 1.471 0.598 0 CA-C-O 121.253 0.549 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.6 m -78.17 160.7 27.85 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.19 0.996 . . . . 0.0 109.751 173.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.514 ' HA ' ' HB3' ' A' ' 6' ' ' MET . 37.5 mt-10 -54.25 -18.21 3.68 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.463 1.105 . . . . 0.0 113.869 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -66.77 -57.38 7.2 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.258 0.623 . . . . 0.0 111.353 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.6 pm0 -77.66 -30.37 52.03 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.176 0.59 . . . . 0.0 110.29 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.514 ' HB3' ' HA ' ' A' ' 3' ' ' GLU . 49.9 ttm -66.41 -34.75 78.65 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.921 0.888 . . . . 0.0 110.541 174.219 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.04 -35.71 53.14 Favored Glycine 0 C--N 1.349 1.282 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.989 175.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.408 HG22 HG12 ' A' ' 27' ' ' VAL . 20.0 m -72.13 -28.54 63.33 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.118 0.567 . . . . 0.0 110.176 174.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.01 -39.97 60.84 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.844 0.858 . . . . 0.0 109.897 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.59 -47.42 86.31 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.426 1.09 . . . . 0.0 109.803 174.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 58.0 tptt -61.33 -45.3 95.0 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 114.594 -1.184 . . . . 0.0 110.133 177.565 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -61.02 -48.29 86.99 Favored Glycine 0 C--N 1.349 1.251 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.617 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.421 HD22 ' HD2' ' A' ' 18' ' ' ARG . 29.5 mt -57.98 -38.16 75.55 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.201 1.0 . . . . 0.0 110.496 178.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.67 -57.27 12.65 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.218 0.607 . . . . 0.0 109.42 175.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 11' ' ' LYS . 37.4 mm-40 -63.32 -46.63 85.76 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.311 0.645 . . . . 0.0 111.942 -172.17 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -90.68 -12.84 35.54 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.9 0.88 . . . . 0.0 112.106 -172.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.71 57.72 4.06 Favored Glycine 0 CA--C 1.532 1.137 0 CA-C-O 120.083 -0.287 . . . . 0.0 112.899 173.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.421 ' HD2' HD22 ' A' ' 13' ' ' LEU . 4.9 tpt180 70.35 7.72 6.33 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 124.729 1.211 . . . . 0.0 112.555 171.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.505 ' O ' HG12 ' A' ' 23' ' ' ILE . 24.4 t-20 -75.4 94.76 3.12 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.172 0.589 . . . . 0.0 109.971 -175.29 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.705 ' HE3' ' HG ' ' A' ' 35' ' ' CYS . 66.1 m95 -53.38 -35.32 60.19 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.938 1.295 . . . . 0.0 113.039 -172.183 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.458 ' HA ' HG22 ' A' ' 32' ' ' VAL . 17.3 m -65.64 -43.79 88.38 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 124.052 0.845 . . . . 0.0 110.912 -178.108 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.48 -37.12 82.4 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.672 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.541 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 7.5 mm -74.06 -46.47 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 122.779 0.432 . . . . 0.0 110.301 -173.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.51 -26.76 68.86 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.321 0.648 . . . . 0.0 111.072 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -80.22 -36.48 34.71 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.8 0.84 . . . . 0.0 110.559 174.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.4 ttt -73.94 -60.67 2.15 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.662 0.785 . . . . 0.0 111.532 -174.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.408 HG12 HG22 ' A' ' 8' ' ' THR . 15.8 m -87.06 -38.38 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.441 0.696 . . . . 0.0 111.834 -175.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.08 -45.97 5.76 Favored Glycine 0 C--N 1.346 1.114 0 CA-C-N 116.381 -0.372 . . . . 0.0 113.4 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.3 t 60.96 29.74 19.2 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.282 1.033 . . . . 0.0 109.713 -163.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -125.25 -169.01 1.92 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.843 1.257 . . . . 0.0 110.372 -173.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.412 HG22 ' H ' ' A' ' 33' ' ' SER . 25.0 m -60.87 147.55 42.57 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.758 1.223 . . . . 0.0 111.731 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.458 HG22 ' HA ' ' A' ' 21' ' ' SER . 95.3 t -56.29 -33.04 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 C-N-CA 123.978 0.911 . . . . 0.0 111.76 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.412 ' H ' HG22 ' A' ' 31' ' ' THR . 20.7 t -58.21 -29.16 65.48 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.409 1.084 . . . . 0.0 112.068 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -59.02 -49.42 77.98 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.58 0.752 . . . . 0.0 111.581 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.705 ' HG ' ' HE3' ' A' ' 20' ' ' TRP . 50.0 t -67.97 -38.35 82.65 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.949 0.5 . . . . 0.0 111.244 -176.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -64.73 -56.56 12.93 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.803 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -60.39 -36.61 78.49 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 123.96 0.787 . . . . 0.0 110.928 -175.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.474 ' HZ ' ' HG3' ' A' ' 6' ' ' MET . 15.1 t80 -54.29 -44.92 72.36 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.684 0.793 . . . . 0.0 110.682 172.235 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -73.0 -17.67 61.43 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.075 0.55 . . . . 0.0 111.233 -176.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.492 ' HA ' ' HE2' ' A' ' 43' ' ' LYS . 10.8 m-85 -80.68 -31.57 36.25 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.116 0.567 . . . . 0.0 110.959 172.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -76.7 -66.24 0.84 Allowed 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 173.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -72.41 100.51 2.7 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.307 1.043 . . . . 0.0 110.074 174.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.492 ' HE2' ' HA ' ' A' ' 40' ' ' PHE . 60.8 mttm -128.42 143.01 50.93 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.694 0.797 . . . . 0.0 109.567 173.068 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -133.3 151.56 51.89 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 124.393 1.077 . . . . 0.0 108.252 174.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -62.44 -33.64 75.21 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.25 0.62 . . . . 0.0 111.954 -177.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -161.34 99.62 1.18 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.688 0.795 . . . . 0.0 109.752 -176.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -153.86 -91.76 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.567 0.347 . . . . 0.0 110.797 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -69.09 -32.65 72.23 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 122.655 0.382 . . . . 0.0 110.28 -169.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.64 -37.97 74.23 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.268 0.627 . . . . 0.0 111.385 174.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 9.0 tp10 -72.71 -48.85 35.36 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.463 176.026 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.9 mt -55.67 -36.1 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 C-N-CA 124.578 1.151 . . . . 0.0 111.297 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.409 ' HG ' ' HD3' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -71.25 -44.4 65.37 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.442 -178.161 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -59.13 -43.79 91.99 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.294 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.504 ' HB3' ' HE3' ' A' ' 58' ' ' LYS . 86.8 mm-40 -61.3 -43.01 99.59 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.681 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -56.41 -41.72 76.79 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 123.548 0.53 . . . . 0.0 110.865 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -64.73 -61.76 1.99 Allowed 'General case' 0 C--N 1.348 0.524 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.259 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 pp -66.56 -31.15 71.68 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 123.909 0.756 . . . . 0.0 112.893 -168.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.504 ' HE3' ' HB3' ' A' ' 54' ' ' GLN . 95.1 mttt -63.96 -51.24 65.27 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.164 0.586 . . . . 0.0 110.672 177.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 53.3 ttm -67.62 -36.5 80.93 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 123.985 0.803 . . . . 0.0 110.611 178.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -63.75 -49.98 70.85 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.498 1.119 . . . . 0.0 112.061 -176.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -71.69 -38.53 70.57 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.972 0.509 . . . . 0.0 111.707 -175.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -35.12 63.92 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -177.468 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -70.36 -33.68 71.74 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.098 0.559 . . . . 0.0 110.342 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -66.9 -50.51 62.19 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.924 174.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.72 -35.26 76.92 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.286 1.034 . . . . 0.0 112.652 -173.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -73.3 -20.14 60.88 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 122.969 0.507 . . . . 0.0 111.037 -175.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -94.48 -13.25 26.33 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 122.944 0.498 . . . . 0.0 110.725 176.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -83.7 95.71 8.48 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 170.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt 60.54 76.74 0.35 Allowed 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.433 1.093 . . . . 0.0 110.384 -176.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -69.97 139.73 52.86 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.614 -174.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 176.606 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 38.0 m95 . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.4 m -63.12 162.13 12.25 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 123.691 0.796 . . . . 0.0 110.483 176.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -51.53 -29.43 16.78 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.607 1.163 . . . . 0.0 113.162 -174.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.2 -55.46 24.83 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.334 0.654 . . . . 0.0 110.824 -177.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.5 pm0 -78.61 -27.21 45.48 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.445 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 44.8 tpp -53.25 -52.87 57.58 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.751 0.82 . . . . 0.0 111.409 177.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.59 -34.01 88.75 Favored Glycine 0 C--N 1.344 1.001 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.905 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.623 HG22 HG12 ' A' ' 27' ' ' VAL . 28.4 m -70.36 -38.97 74.88 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.007 0.923 . . . . 0.0 111.006 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.555 ' HA ' HG11 ' A' ' 27' ' ' VAL . . . -77.48 -37.57 51.01 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.301 0.64 . . . . 0.0 110.454 -178.118 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -62.25 -42.63 99.5 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 123.966 0.791 . . . . 0.0 109.726 173.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -61.19 -41.8 97.46 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.864 0.865 . . . . 0.0 110.118 175.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.51 -48.99 77.8 Favored Glycine 0 C--N 1.345 1.048 0 O-C-N 123.46 0.475 . . . . 0.0 113.01 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.428 ' HB3' HD21 ' A' ' 48' ' ' LEU . 46.4 mt -69.0 -26.76 65.18 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.106 0.962 . . . . 0.0 110.49 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.9 tp -76.07 -39.03 56.31 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 123.25 0.62 . . . . 0.0 110.885 176.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -93.5 -62.72 1.31 Allowed 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 120.942 0.401 . . . . 0.0 110.787 -173.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -79.39 -29.25 41.96 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.873 0.869 . . . . 0.0 111.72 -174.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.471 ' HA2' HD11 ' A' ' 52' ' ' LEU . . . 100.76 -155.63 19.31 Favored Glycine 0 C--N 1.343 0.948 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.991 178.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -88.58 19.5 3.89 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.505 0.722 . . . . 0.0 112.284 -176.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.445 ' O ' HG12 ' A' ' 23' ' ' ILE . 28.5 m-80 -74.38 87.55 2.04 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 177.159 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -60.25 -27.75 67.48 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.816 0.846 . . . . 0.0 112.023 -168.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.1 t -67.0 -38.09 85.38 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.256 0.622 . . . . 0.0 110.761 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.98 -44.97 45.24 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.666 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 19' ' ' ASN . 26.6 mm -67.38 -52.48 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.078 -174.198 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 31' ' ' THR . . . -68.29 -22.33 64.73 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -174.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -80.72 -33.48 35.21 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 122.85 0.46 . . . . 0.0 110.073 176.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 55.7 ttp -77.94 -59.18 2.89 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.54 0.736 . . . . 0.0 111.452 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.623 HG12 HG22 ' A' ' 8' ' ' THR . 3.8 m -85.71 -42.36 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.203 1.001 . . . . 0.0 111.563 -171.209 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.03 -39.84 11.12 Favored Glycine 0 C--N 1.35 1.336 0 O-C-N 123.587 0.554 . . . . 0.0 112.187 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.6 t 65.39 10.26 6.4 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.127 1.371 . . . . 0.0 112.036 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -133.68 -78.23 0.47 Allowed 'General case' 0 C--N 1.36 1.031 0 O-C-N 121.84 -0.537 . . . . 0.0 111.719 -172.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.402 ' O ' ' HB1' ' A' ' 24' ' ' ALA . 19.2 m -125.23 136.99 54.1 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.018 0.527 . . . . 0.0 111.407 -165.267 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.6 -40.89 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 123.657 0.783 . . . . 0.0 111.18 175.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.3 m -57.95 -28.8 64.65 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.111 0.964 . . . . 0.0 111.856 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -62.09 -49.06 77.45 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.537 0.735 . . . . 0.0 111.381 -178.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 51.9 t -72.92 -26.6 61.46 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.15 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.431 ' HE2' ' HB3' ' A' ' 36' ' ' LYS . 37.0 mtpt -65.61 -41.7 92.43 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.393 171.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -66.64 -29.91 70.05 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.478 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -50.54 -44.86 56.51 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 124.066 0.946 . . . . 0.0 110.331 172.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -64.79 -33.49 76.1 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 114.148 -1.387 . . . . 0.0 112.25 -172.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -98.67 -35.86 10.04 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.033 0.533 . . . . 0.0 111.936 -173.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -74.95 -23.69 58.35 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.309 0.644 . . . . 0.0 110.878 -175.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -100.52 96.08 7.15 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.569 0.7 . . . . 0.0 111.589 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -105.72 165.53 11.1 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-N 114.404 -1.271 . . . . 0.0 108.181 168.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm 66.42 4.48 3.27 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.027 0.931 . . . . 0.0 112.835 177.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -134.57 104.81 6.23 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.91 0.884 . . . . 0.0 110.165 -172.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 46.17 96.54 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 125.433 1.493 . . . . 0.0 113.929 168.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -64.92 126.42 27.95 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-O 121.051 0.453 . . . . 0.0 109.938 -176.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.428 HD21 ' HB3' ' A' ' 13' ' ' LEU . 3.0 tm? -63.34 -27.71 69.5 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.185 0.994 . . . . 0.0 111.344 -174.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -64.64 -32.18 73.72 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.364 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 40.2 tt0 -74.33 -39.17 63.01 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.098 0.559 . . . . 0.0 110.255 177.226 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.2 mt -57.3 -46.84 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 123.368 0.667 . . . . 0.0 110.542 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.471 HD11 ' HA2' ' A' ' 17' ' ' GLY . 4.5 mm? -72.29 -31.27 65.58 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.721 178.412 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -65.45 -49.82 67.7 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.81 0.444 . . . . 0.0 110.654 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 80.3 mm-40 -60.96 -48.92 79.6 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 124.159 0.912 . . . . 0.0 109.678 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -53.18 -46.0 68.75 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 123.68 0.612 . . . . 0.0 111.394 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -59.71 -57.39 13.14 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 123.756 0.66 . . . . 0.0 110.776 -177.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 pp -68.33 -30.02 68.9 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.595 0.56 . . . . 0.0 111.783 -173.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.538 ' HA ' ' HE3' ' A' ' 61' ' ' LYS . 59.4 mtpt -68.29 -49.91 57.23 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.075 0.55 . . . . 0.0 111.158 178.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 37.5 mmt -65.6 -42.75 91.29 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 123.616 0.573 . . . . 0.0 109.931 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -69.87 -41.76 74.38 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.358 -171.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.538 ' HE3' ' HA ' ' A' ' 58' ' ' LYS . 23.1 pttp -67.46 -41.69 84.25 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 123.032 0.208 . . . . 0.0 111.37 -174.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -27.67 60.61 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.465 0.306 . . . . 0.0 110.507 178.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -68.77 -40.21 79.84 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.131 0.972 . . . . 0.0 110.134 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -67.04 -38.53 86.05 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.746 176.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.16 -40.38 78.21 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.744 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -79.28 -14.77 58.8 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 122.796 0.439 . . . . 0.0 111.854 -173.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -101.22 -47.83 4.59 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -86.55 76.39 9.58 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 174.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -85.48 62.35 7.42 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.95 -177.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -91.0 96.64 10.73 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.011 -174.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.169 0 C-N-CA 124.17 0.988 . . . . 0.0 110.216 -176.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 40.5 m95 . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.5 m -76.38 163.89 26.54 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 123.719 0.808 . . . . 0.0 109.416 174.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.529 ' HA ' ' HB2' ' A' ' 6' ' ' MET . 38.3 mt-10 -57.18 -19.37 20.26 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -176.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -63.14 -57.52 10.28 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.461 0.704 . . . . 0.0 110.607 175.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -77.56 -29.45 52.2 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.25 0.62 . . . . 0.0 110.9 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.529 ' HB2' ' HA ' ' A' ' 3' ' ' GLU . 84.0 mmm -63.53 -38.97 93.17 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.206 0.602 . . . . 0.0 110.907 172.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.93 -32.39 53.34 Favored Glycine 0 C--N 1.343 0.924 0 O-C-N 123.817 0.698 . . . . 0.0 112.768 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.403 HG22 HG12 ' A' ' 27' ' ' VAL . 32.6 m -77.32 -29.57 53.67 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.229 0.612 . . . . 0.0 110.61 175.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.08 -33.07 61.63 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.368 0.667 . . . . 0.0 109.592 174.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.521 ' HG2' HD13 ' A' ' 51' ' ' ILE . 1.2 tmtp? -64.65 -51.93 60.01 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.204 1.001 . . . . 0.0 109.662 174.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -59.73 -38.76 82.6 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.0 1.32 . . . . 0.0 110.014 176.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.25 -48.83 56.59 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-N 115.04 -0.982 . . . . 0.0 112.436 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.572 HD13 HD11 ' A' ' 48' ' ' LEU . 76.0 mt -66.11 -39.28 89.81 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.231 0.612 . . . . 0.0 110.871 -175.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.469 HD12 ' HB2' ' A' ' 55' ' ' HIS . 42.1 tp -59.47 -54.42 46.87 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 123.665 0.603 . . . . 0.0 110.548 175.444 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -65.65 -57.4 8.2 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.582 0.753 . . . . 0.0 110.651 -174.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.49 ' HB2' HD11 ' A' ' 23' ' ' ILE . 85.0 m-70 -78.11 -14.94 59.29 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.037 0.935 . . . . 0.0 112.974 -173.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 68.79 56.4 9.5 Favored Glycine 0 CA--C 1.538 1.479 0 CA-C-O 120.082 -0.288 . . . . 0.0 113.476 177.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.525 ' HG3' ' HG ' ' A' ' 52' ' ' LEU . 57.2 mtt180 59.63 23.11 11.86 Favored 'General case' 0 N--CA 1.5 2.052 0 C-N-CA 124.545 1.138 . . . . 0.0 113.561 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.49 ' O ' HG12 ' A' ' 23' ' ' ILE . 19.9 t-20 -75.21 86.55 2.44 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 176.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 45.3 m95 -58.84 -26.45 64.18 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 123.882 0.873 . . . . 0.0 112.232 -172.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.493 ' HA ' HG22 ' A' ' 32' ' ' VAL . 45.2 t -59.32 -47.51 85.11 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.172 0.989 . . . . 0.0 110.573 173.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.19 -38.67 63.56 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 115.008 -0.997 . . . . 0.0 111.735 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.49 HD11 ' HB2' ' A' ' 16' ' ' HIS . 19.6 mm -72.51 -42.45 63.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 122.752 0.421 . . . . 0.0 110.617 -173.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.36 -37.21 79.99 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.858 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.3 ttt85 -73.38 -38.79 65.53 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 123.497 0.719 . . . . 0.0 110.879 174.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.5 ttt -68.33 -61.46 1.83 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.39 0.676 . . . . 0.0 111.599 -172.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.403 HG12 HG22 ' A' ' 8' ' ' THR . 18.9 m -87.17 -42.9 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 123.189 0.595 . . . . 0.0 111.708 -176.054 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.19 -41.21 8.67 Favored Glycine 0 C--N 1.346 1.122 0 CA-C-N 115.503 -0.771 . . . . 0.0 114.031 -174.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t 58.81 30.1 19.62 Favored 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 124.491 1.116 . . . . 0.0 109.474 -162.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -129.31 172.74 11.18 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.911 1.285 . . . . 0.0 110.076 -167.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.6 m -45.47 142.15 2.37 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 126.039 1.736 . . . . 0.0 113.46 176.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.493 HG22 ' HA ' ' A' ' 21' ' ' SER . 76.5 t -55.8 -37.27 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 C-N-CA 123.969 0.907 . . . . 0.0 111.149 178.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.428 ' HA ' ' HE3' ' A' ' 36' ' ' LYS . 15.6 m -54.22 -35.29 62.27 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.623 1.169 . . . . 0.0 112.241 178.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -63.05 -54.36 39.35 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.999 0.52 . . . . 0.0 111.923 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.411 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 44.0 t -71.78 -32.82 68.05 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-O 121.179 0.514 . . . . 0.0 111.179 -176.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.428 ' HE3' ' HA ' ' A' ' 33' ' ' SER . 24.9 ttpp -67.54 -46.77 71.82 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.308 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -74.57 -24.95 58.99 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.727 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.46 ' HZ ' ' SD ' ' A' ' 6' ' ' MET . 41.9 t80 -59.95 -24.56 64.48 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.473 0.709 . . . . 0.0 111.228 176.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.408 ' HE1' HD12 ' A' ' 48' ' ' LEU . 3.3 t80 -63.78 -16.53 61.44 Favored 'General case' 0 CA--C 1.56 1.357 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -103.02 8.31 38.92 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 124.765 1.226 . . . . 0.0 110.655 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -129.39 123.35 31.47 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.958 1.303 . . . . 0.0 109.053 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 38.4 t80 57.56 35.01 25.31 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.549 0.74 . . . . 0.0 110.7 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -60.25 119.4 7.82 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.6 -177.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.645 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 6.3 mmtt -71.0 115.58 10.29 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.435 0.694 . . . . 0.0 110.458 -176.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -58.64 98.9 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.006 1.322 . . . . 0.0 110.912 -177.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 71.34 -36.46 0.36 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.821 1.648 . . . . 0.0 113.232 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.645 ' HB2' ' HD2' ' A' ' 44' ' ' LYS . 13.6 m120 -69.2 -22.64 63.88 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.005 0.922 . . . . 0.0 113.018 -165.397 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.572 HD11 HD13 ' A' ' 13' ' ' LEU . 2.5 tm? -89.11 -41.88 12.03 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 174.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -66.26 -38.35 87.65 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.061 -172.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 12.7 pt-20 -62.04 -37.03 83.39 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.578 0.751 . . . . 0.0 110.363 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.521 HD13 ' HG2' ' A' ' 10' ' ' LYS . 92.5 mt -54.73 -46.23 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.198 0.999 . . . . 0.0 111.348 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.525 ' HG ' ' HG3' ' A' ' 18' ' ' ARG . 4.3 mm? -77.54 -33.64 54.1 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.647 -178.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -65.48 -38.7 90.52 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 17.8 mm-40 -70.85 -42.36 70.22 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.942 176.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.469 ' HB2' HD12 ' A' ' 14' ' ' LEU . 27.1 t-80 -54.19 -45.54 72.18 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.105 0.562 . . . . 0.0 110.217 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -59.33 -53.79 54.2 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.004 0.921 . . . . 0.0 112.062 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.3 -25.28 63.25 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.643 0.377 . . . . 0.0 111.717 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.534 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 7.5 mtpm? -72.03 -49.64 35.13 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 122.941 0.497 . . . . 0.0 110.501 175.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 17.7 mmt -53.33 -38.79 63.54 Favored 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 124.021 0.928 . . . . 0.0 110.327 175.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -69.15 -53.99 17.25 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 114.372 -1.286 . . . . 0.0 111.63 178.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.534 ' HG2' ' HA ' ' A' ' 58' ' ' LYS . 21.2 ptmt -69.26 -38.4 78.39 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -169.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.21 -38.58 78.65 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.047 0.539 . . . . 0.0 110.705 -177.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -73.47 -37.3 65.83 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.097 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -71.48 -34.54 70.27 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.889 0.476 . . . . 0.0 110.472 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.1 -40.37 74.98 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.411 0.685 . . . . 0.0 111.506 -176.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -77.89 -15.18 59.22 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.787 0.435 . . . . 0.0 111.451 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -95.57 -13.21 24.61 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.68 0.392 . . . . 0.0 110.518 169.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -85.46 69.61 10.7 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 122.552 1.168 . . . . 0.0 109.081 176.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -101.57 -5.37 25.22 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 113.664 -1.607 . . . . 0.0 109.249 171.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.03 112.38 24.35 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 124.902 1.281 . . . . 0.0 108.567 176.369 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.0 pttt . . . . . 0 C--O 1.25 1.083 0 C-N-CA 123.555 0.742 . . . . 0.0 109.806 -179.832 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 73.1 m95 . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.9 m -67.91 150.25 48.77 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 171.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -61.03 -23.23 65.27 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-N 118.278 0.49 . . . . 0.0 111.512 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -62.65 -56.33 18.72 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.607 0.763 . . . . 0.0 111.241 175.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -72.62 -29.1 63.19 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.191 0.596 . . . . 0.0 110.841 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 37.9 ttm -66.91 -31.5 72.14 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.139 0.976 . . . . 0.0 110.874 177.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.37 -35.06 75.43 Favored Glycine 0 C--N 1.347 1.149 0 O-C-N 123.675 0.609 . . . . 0.0 112.429 174.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.6 m -69.42 -36.36 76.61 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.625 0.77 . . . . 0.0 110.323 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.23 -45.6 76.28 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.037 175.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -59.24 -42.82 91.99 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.968 1.307 . . . . 0.0 111.444 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -72.9 -34.94 66.96 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.32 0.648 . . . . 0.0 110.521 178.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.47 -44.9 92.32 Favored Glycine 0 C--N 1.347 1.141 0 N-CA-C 112.176 -0.37 . . . . 0.0 112.176 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.552 HD23 HG13 ' A' ' 23' ' ' ILE . 43.0 mt -63.26 -24.36 67.84 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.946 1.298 . . . . 0.0 111.053 177.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.7 tt -75.48 -58.19 3.43 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 122.772 0.429 . . . . 0.0 109.954 170.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.76 -63.07 1.43 Allowed 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 124.127 0.971 . . . . 0.0 111.98 -170.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -82.14 -25.83 34.02 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.453 -173.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.19 -175.17 23.68 Favored Glycine 0 C--N 1.336 0.563 0 N-CA-C 110.159 -1.176 . . . . 0.0 110.159 -166.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.466 ' HG3' HD22 ' A' ' 13' ' ' LEU . 40.6 ttp180 -85.06 32.32 0.54 Allowed 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 117.586 0.693 . . . . 0.0 110.948 -178.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.439 ' O ' HG12 ' A' ' 23' ' ' ILE . 39.7 m-20 -75.25 88.48 2.52 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.559 1.143 . . . . 0.0 108.687 -177.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -58.88 -25.75 63.63 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -166.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.461 ' HA ' HG22 ' A' ' 32' ' ' VAL . 42.6 t -68.99 -42.39 76.58 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 117.949 0.34 . . . . 0.0 110.349 177.357 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.89 -41.82 64.25 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.028 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.552 HG13 HD23 ' A' ' 13' ' ' LEU . 40.1 mm -69.55 -37.72 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.172 0.589 . . . . 0.0 110.529 -175.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.21 -22.44 57.95 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.01 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -82.24 -26.02 33.6 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.032 0.533 . . . . 0.0 110.123 172.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.5 ttt -76.07 -60.52 2.29 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.534 0.734 . . . . 0.0 110.627 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 23' ' ' ILE . 19.0 m -85.97 -47.74 16.36 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 C-N-CA 123.044 0.538 . . . . 0.0 111.743 -174.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.59 -41.33 9.08 Favored Glycine 0 C--N 1.352 1.437 0 C-N-CA 122.83 0.252 . . . . 0.0 113.018 -178.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.2 t 56.86 23.71 8.43 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 125.205 1.402 . . . . 0.0 112.119 -173.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -136.01 -69.14 0.49 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.955 0.502 . . . . 0.0 111.903 -172.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 60.8 m -133.59 131.51 39.75 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -169.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.461 HG22 ' HA ' ' A' ' 21' ' ' SER . 68.0 t -63.05 -42.78 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 C-N-CA 124.473 1.109 . . . . 0.0 111.401 177.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.9 m -56.6 -44.04 80.73 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.873 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -57.41 -45.24 84.8 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -172.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 47.8 t -77.05 -33.41 57.28 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.451 -178.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -70.64 -46.93 62.38 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.195 0.598 . . . . 0.0 110.814 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -61.21 -32.9 72.67 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.726 1.21 . . . . 0.0 111.342 -175.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -48.06 -45.51 32.4 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.584 1.153 . . . . 0.0 111.584 175.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -58.39 -30.69 67.01 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.506 -175.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -102.22 -20.01 14.84 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.308 1.043 . . . . 0.0 111.916 -174.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -73.05 -22.97 60.53 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 118.364 0.529 . . . . 0.0 110.817 175.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.82 108.29 9.75 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.297 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -67.97 -31.41 71.12 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.605 0.762 . . . . 0.0 111.012 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -73.66 142.03 46.46 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.705 172.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -62.56 105.49 0.64 Allowed 'General case' 0 C--O 1.242 0.684 0 O-C-N 123.783 0.677 . . . . 0.0 110.151 177.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -70.96 108.94 4.79 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 167.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.504 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 25.7 m-80 -82.47 46.14 1.03 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.843 0.857 . . . . 0.0 110.054 178.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.525 ' HA ' HD13 ' A' ' 51' ' ' ILE . 2.9 tm? -79.05 -16.48 56.75 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.6 1.56 . . . . 0.0 108.984 177.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -54.7 -43.21 72.34 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.533 1.133 . . . . 0.0 111.572 173.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 47' ' ' ASN . 12.3 pt-20 -73.81 -23.8 59.72 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 123.252 0.345 . . . . 0.0 111.279 -178.066 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.525 HD13 ' HA ' ' A' ' 48' ' ' LEU . 1.8 mp -64.96 -46.96 90.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 C-N-CA 123.234 0.614 . . . . 0.0 109.535 175.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.403 HD23 HD13 ' A' ' 48' ' ' LEU . 4.4 mm? -66.72 -38.51 86.83 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.858 176.297 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -67.57 -41.29 84.42 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.372 0.669 . . . . 0.0 111.229 -177.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 14.9 mm-40 -65.15 -47.69 76.18 Favored 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -61.89 -30.06 70.62 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 123.573 0.546 . . . . 0.0 110.873 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -70.49 -52.01 25.0 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.969 0.908 . . . . 0.0 111.421 -179.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 pp -72.25 -27.74 62.69 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.021 0.528 . . . . 0.0 111.46 -176.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.432 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 97.0 mttt -73.73 -40.45 63.55 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 174.295 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 57.3 ttp -57.25 -36.4 70.93 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.877 0.871 . . . . 0.0 111.316 178.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -68.67 -58.73 3.82 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.765 177.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.432 ' HG2' ' HA ' ' A' ' 58' ' ' LYS . 59.7 pttt -65.05 -33.88 77.1 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 123.467 0.48 . . . . 0.0 112.009 -170.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -77.36 -32.55 55.12 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.726 0.41 . . . . 0.0 110.806 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -74.64 -35.31 62.87 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.335 0.654 . . . . 0.0 109.694 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -71.56 -33.14 68.85 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.562 173.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.01 -39.79 60.96 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 122.966 0.506 . . . . 0.0 111.707 -178.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -76.53 -16.24 59.67 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 122.666 0.387 . . . . 0.0 111.576 -177.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -99.05 -13.85 19.68 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.56 0.744 . . . . 0.0 110.565 171.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt 67.48 9.42 7.01 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 125.691 1.596 . . . . 0.0 111.801 -170.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -74.91 84.85 2.23 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 124.703 1.201 . . . . 0.0 110.858 -174.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -155.79 152.54 28.57 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 174.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.557 1.231 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 174.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 99.5 m95 . . . . . 0 N--CA 1.473 0.706 0 CA-C-O 121.145 0.498 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.0 m -78.14 155.5 30.44 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.552 1.141 . . . . 0.0 109.361 173.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.4 ' HA ' ' HB3' ' A' ' 6' ' ' MET . 43.9 mt-10 -57.21 -20.86 29.54 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -175.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -73.23 -55.23 6.72 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.68 0.392 . . . . 0.0 110.5 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -68.72 -30.39 69.02 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 122.891 0.477 . . . . 0.0 110.684 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.4 ' HB3' ' HA ' ' A' ' 3' ' ' GLU . 46.6 tpp -66.16 -38.45 88.13 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.381 1.072 . . . . 0.0 110.555 175.105 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.23 -36.78 71.23 Favored Glycine 0 C--N 1.344 0.973 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.347 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.6 m -73.98 -28.78 61.65 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.271 0.628 . . . . 0.0 110.217 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.31 -50.14 42.36 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 177.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HG3' HD13 ' A' ' 51' ' ' ILE . 76.5 tttt -55.88 -42.24 75.63 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.898 1.279 . . . . 0.0 111.137 173.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -67.55 -35.59 79.35 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 123.786 0.679 . . . . 0.0 110.251 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.24 -46.01 67.07 Favored Glycine 0 C--N 1.341 0.855 0 CA-C-N 116.079 -0.509 . . . . 0.0 112.155 174.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.7 mt -65.3 -23.46 67.03 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.589 1.156 . . . . 0.0 110.724 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.527 HD12 ' HB2' ' A' ' 55' ' ' HIS . 63.2 tp -75.26 -60.56 2.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.033 0.533 . . . . 0.0 109.625 171.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -75.66 -60.69 2.2 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.247 0.619 . . . . 0.0 111.547 -168.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -67.7 -41.13 84.09 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 121.547 0.689 . . . . 0.0 110.328 176.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.62 -167.62 16.64 Favored Glycine 0 CA--C 1.523 0.546 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.964 -170.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 46.5 mtm180 -82.73 50.0 1.6 Allowed 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 121.592 0.71 . . . . 0.0 110.997 176.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.445 ' O ' HG12 ' A' ' 23' ' ' ILE . 70.7 m-20 -88.83 90.9 8.61 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 107.362 -1.348 . . . . 0.0 107.362 175.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.657 ' HE3' ' HG ' ' A' ' 35' ' ' CYS . 57.9 m95 -56.89 -38.35 72.65 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.482 1.113 . . . . 0.0 113.066 -163.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.1 t -62.3 -50.38 71.9 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.178 0.591 . . . . 0.0 110.557 175.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.54 -40.94 96.49 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.413 0.685 . . . . 0.0 111.857 -176.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 19' ' ' ASN . 25.1 mm -75.22 -39.57 42.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 123.052 0.541 . . . . 0.0 110.436 -175.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.51 -23.8 62.72 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.269 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -82.7 -28.85 30.26 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.345 0.658 . . . . 0.0 110.775 170.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.2 ttt -74.41 -61.21 1.95 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.008 0.523 . . . . 0.0 110.943 -176.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.8 m -88.92 -46.23 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 122.84 0.456 . . . . 0.0 111.955 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.31 -24.99 62.24 Favored Glycine 0 C--N 1.344 0.986 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.653 -175.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.6 t 65.09 13.42 8.69 Favored 'General case' 0 CA--C 1.559 1.321 0 C-N-CA 124.803 1.241 . . . . 0.0 112.06 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -140.29 -147.53 0.22 Allowed 'General case' 0 CA--C 1.566 1.561 0 C-N-CA 123.866 0.867 . . . . 0.0 110.567 -170.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.454 HG22 ' H ' ' A' ' 33' ' ' SER . 56.0 m -67.62 148.87 50.81 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.196 1.398 . . . . 0.0 112.984 -170.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.9 p -47.98 -32.36 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 C-N-CA 125.719 1.607 . . . . 0.0 113.007 177.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.454 ' H ' HG22 ' A' ' 31' ' ' THR . 58.2 m -52.43 -33.88 46.08 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.787 1.235 . . . . 0.0 113.507 -177.112 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -58.37 -49.56 76.79 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.957 0.503 . . . . 0.0 111.963 -174.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.657 ' HG ' ' HE3' ' A' ' 20' ' ' TRP . 35.8 t -77.09 -31.52 55.98 Favored 'General case' 0 N--CA 1.481 1.102 0 O-C-N 123.52 0.512 . . . . 0.0 110.937 -175.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.38 -48.33 75.89 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.266 0.627 . . . . 0.0 111.285 175.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -71.79 -41.9 67.74 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.833 -177.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -49.13 -46.96 45.81 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 124.358 1.063 . . . . 0.0 111.654 176.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.459 ' HE1' HD12 ' A' ' 48' ' ' LEU . 25.6 t80 -65.81 -40.68 92.11 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.775 -169.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -103.98 -5.56 22.09 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 123.467 0.707 . . . . 0.0 112.387 -172.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -101.46 -48.07 4.47 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 122.912 0.485 . . . . 0.0 109.959 175.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -85.74 13.65 6.91 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 123.523 0.729 . . . . 0.0 110.663 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -57.38 110.8 0.92 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.111 0.964 . . . . 0.0 111.422 176.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -131.75 25.16 4.7 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.092 0.957 . . . . 0.0 109.961 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 36.0 ttp-105 64.9 79.11 0.26 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.627 1.171 . . . . 0.0 109.928 -174.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -93.46 159.69 15.13 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.457 177.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -87.27 19.62 3.13 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.02 0.928 . . . . 0.0 110.707 177.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.479 ' HA ' HD12 ' A' ' 51' ' ' ILE . 2.3 tm? -64.82 -30.71 71.72 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.079 0.952 . . . . 0.0 111.046 -174.219 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -61.99 -39.55 92.59 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.431 0.692 . . . . 0.0 111.134 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -72.16 -36.94 69.44 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.687 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 48' ' ' LEU . 82.0 mt -57.98 -42.42 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 124.086 0.954 . . . . 0.0 111.315 179.06 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.447 HD23 HD13 ' A' ' 48' ' ' LEU . 4.1 mm? -67.11 -46.47 74.08 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.172 177.509 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -59.64 -45.85 90.75 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.842 0.857 . . . . 0.0 110.992 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.442 ' HB3' ' HE2' ' A' ' 58' ' ' LYS . 18.0 mm-40 -60.88 -52.21 66.01 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 124.062 0.851 . . . . 0.0 110.524 179.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.527 ' HB2' HD12 ' A' ' 14' ' ' LEU . 68.6 t60 -55.88 -41.26 74.17 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.322 0.649 . . . . 0.0 111.339 -178.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -60.42 -58.47 8.35 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.251 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 pp -74.14 -28.56 61.39 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.968 0.507 . . . . 0.0 112.239 -171.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.442 ' HE2' ' HB3' ' A' ' 54' ' ' GLN . 68.5 mttm -67.67 -48.49 66.47 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 176.486 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 49.0 ttm -68.0 -29.89 69.02 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 123.92 0.763 . . . . 0.0 111.128 177.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -71.95 -44.47 63.53 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 122.916 0.486 . . . . 0.0 111.188 -177.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -69.68 -39.99 76.66 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.693 -174.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.72 -34.76 72.26 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 123.336 0.398 . . . . 0.0 109.961 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -60.97 -44.0 97.98 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.369 1.068 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -65.65 -48.15 73.11 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.701 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.04 -44.92 95.67 Favored 'General case' 0 CA--C 1.548 0.887 0 O-C-N 123.795 0.685 . . . . 0.0 112.221 -175.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -72.16 -19.62 61.73 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.389 0.675 . . . . 0.0 112.393 -172.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -109.33 -65.11 1.17 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 122.848 0.459 . . . . 0.0 109.79 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -83.06 82.52 8.21 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.648 0.779 . . . . 0.0 109.401 175.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -84.89 90.3 7.76 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 176.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.86 122.75 31.06 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.979 0.911 . . . . 0.0 109.799 -178.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt . . . . . 0 CA--C 1.561 1.4 0 C-N-CA 124.044 0.937 . . . . 0.0 109.238 178.652 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 83.8 m95 . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.607 0.241 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.5 m -71.34 155.6 40.47 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.683 1.193 . . . . 0.0 109.58 172.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.408 ' HA ' ' HB2' ' A' ' 6' ' ' MET . 42.0 mt-10 -61.04 -20.99 63.19 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -178.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -66.25 -55.59 15.42 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.337 0.655 . . . . 0.0 110.688 174.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -74.89 -27.78 60.37 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.561 0.745 . . . . 0.0 111.452 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.408 ' HB2' ' HA ' ' A' ' 3' ' ' GLU . 8.6 mmt -59.62 -45.57 91.56 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.894 0.878 . . . . 0.0 110.167 169.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.31 -36.3 92.57 Favored Glycine 0 C--N 1.343 0.963 0 CA-C-N 114.979 -1.01 . . . . 0.0 112.735 175.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.3 m -69.29 -33.52 73.33 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.544 0.738 . . . . 0.0 111.13 176.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.4 ' HA ' HG11 ' A' ' 27' ' ' VAL . . . -76.22 -38.37 56.5 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.452 0.701 . . . . 0.0 110.286 178.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -67.1 -47.49 71.04 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.458 0.703 . . . . 0.0 109.761 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -72.04 -31.95 66.65 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.974 0.91 . . . . 0.0 110.078 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.86 -56.38 14.86 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.893 176.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.466 HD23 HG13 ' A' ' 23' ' ' ILE . 44.8 mt -61.28 -32.19 72.02 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.111 0.964 . . . . 0.0 111.051 177.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.2 tp -58.36 -57.83 11.16 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.828 0.851 . . . . 0.0 110.133 175.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -78.77 -59.98 2.56 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.763 0.825 . . . . 0.0 112.517 -171.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -79.76 -7.1 58.44 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.697 0.799 . . . . 0.0 111.724 -170.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.531 ' HA2' HD11 ' A' ' 52' ' ' LEU . . . 87.13 -174.71 45.83 Favored Glycine 0 C--N 1.343 0.968 0 N-CA-C 112.062 -0.415 . . . . 0.0 112.062 -176.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -86.06 35.43 0.64 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.479 0.712 . . . . 0.0 111.171 178.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -81.34 95.86 7.14 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.259 1.024 . . . . 0.0 108.261 178.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.509 ' HE3' ' HG ' ' A' ' 35' ' ' CYS . 26.8 m95 -60.23 -32.23 70.93 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.693 0.797 . . . . 0.0 112.025 -168.179 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.414 ' HA ' HG22 ' A' ' 32' ' ' VAL . 32.2 t -65.53 -39.0 91.27 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.398 0.679 . . . . 0.0 111.395 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.81 -46.36 58.45 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.429 0.692 . . . . 0.0 110.476 -177.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.554 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 24.9 mm -73.34 -29.92 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.136 -175.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.444 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . . . -62.63 -32.28 73.29 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.175 0.59 . . . . 0.0 112.235 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -81.45 -37.82 27.4 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 175.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.3 ttt -64.63 -59.47 4.24 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.25 0.62 . . . . 0.0 111.189 -176.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 23' ' ' ILE . 13.1 m -88.04 -46.2 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.233 0.613 . . . . 0.0 112.305 -178.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.1 -43.81 7.93 Favored Glycine 0 C--N 1.349 1.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 113.193 -171.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.3 m 55.35 29.13 12.47 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.927 1.291 . . . . 0.0 111.845 -173.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -139.04 -80.91 0.31 Allowed 'General case' 0 C--N 1.354 0.778 0 C-N-CA 122.392 0.277 . . . . 0.0 111.403 -169.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.414 HG22 ' H ' ' A' ' 33' ' ' SER . 27.6 m -139.94 151.72 45.79 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.569 0.748 . . . . 0.0 110.227 -174.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.444 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 95.3 t -63.75 -32.8 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 123.599 0.76 . . . . 0.0 111.79 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.414 ' H ' HG22 ' A' ' 31' ' ' THR . 21.7 m -57.37 -26.78 61.57 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.957 0.903 . . . . 0.0 112.532 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -63.34 -52.18 62.85 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.8 0.44 . . . . 0.0 110.846 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.554 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 53.0 t -74.82 -32.01 61.84 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.521 -178.012 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -74.41 -47.45 33.79 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.627 0.771 . . . . 0.0 111.101 -176.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -74.79 -20.01 59.96 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.336 0.654 . . . . 0.0 111.036 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -58.99 -37.79 77.67 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.087 0.555 . . . . 0.0 109.879 170.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -71.55 -18.56 62.25 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.214 1.005 . . . . 0.0 111.721 -176.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.2 m-30 -74.98 -14.24 60.6 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.267 0.627 . . . . 0.0 111.144 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -142.02 165.72 26.66 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.976 0.911 . . . . 0.0 110.069 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 54.8 t80 65.72 2.72 2.21 Favored 'General case' 0 N--CA 1.498 1.948 0 C-N-CA 123.97 0.908 . . . . 0.0 112.172 177.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 47' ' ' ASN . 26.9 ttpp -81.75 -13.41 57.82 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.809 1.244 . . . . 0.0 111.461 -171.217 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.64 -31.0 20.02 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.043 0.537 . . . . 0.0 109.936 173.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -76.93 91.01 3.55 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.159 0.584 . . . . 0.0 109.905 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 59.88 85.86 0.1 Allowed 'General case' 0 C--N 1.36 1.062 0 C-N-CA 124.926 1.29 . . . . 0.0 109.074 -169.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 43' ' ' LYS . 6.1 p30 -59.68 127.0 29.84 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-O 121.521 0.676 . . . . 0.0 111.01 -170.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.24 -22.1 66.82 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.05 1.34 . . . . 0.0 110.862 -173.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -64.07 -38.49 91.27 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.628 0.771 . . . . 0.0 111.189 173.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -70.79 -34.35 71.67 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.265 0.626 . . . . 0.0 110.402 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.4 mt -62.74 -43.42 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.302 0.641 . . . . 0.0 109.703 177.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.531 HD11 ' HA2' ' A' ' 17' ' ' GLY . 4.3 mm? -68.77 -35.39 76.99 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.549 175.134 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.98 -36.96 75.6 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 122.976 0.511 . . . . 0.0 110.381 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -66.5 -40.63 89.34 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.196 0.598 . . . . 0.0 110.173 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -65.37 -37.05 85.85 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 123.718 0.636 . . . . 0.0 110.31 176.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -67.68 -61.41 1.9 Allowed 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.549 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 pp -62.48 -36.48 82.62 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.749 0.819 . . . . 0.0 111.569 -171.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -64.03 -60.07 3.69 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 123.51 0.506 . . . . 0.0 110.048 175.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 51.3 ttm -60.24 -30.71 69.59 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 123.742 0.651 . . . . 0.0 111.248 -176.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -65.73 -60.1 3.24 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.918 0.887 . . . . 0.0 109.845 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -71.35 -33.58 69.72 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.908 -171.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.32 -30.61 57.76 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.465 0.306 . . . . 0.0 110.682 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -67.74 -55.0 14.79 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 174.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -60.26 -31.52 70.29 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 123.307 0.379 . . . . 0.0 111.203 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.04 -51.55 63.61 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.311 0.644 . . . . 0.0 111.009 176.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -76.71 -9.96 59.04 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 122.787 0.435 . . . . 0.0 111.339 -178.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -96.19 4.4 52.47 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.425 0.69 . . . . 0.0 111.134 172.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -132.65 37.29 3.49 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-O 122.038 0.923 . . . . 0.0 109.159 168.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.422 ' HA ' ' HE2' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -74.02 85.76 1.81 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 114.331 -1.304 . . . . 0.0 109.832 176.092 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.49 97.46 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 125.435 1.494 . . . . 0.0 112.425 -178.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.557 1.238 0 C-N-CA 124.459 1.103 . . . . 0.0 110.083 174.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 55.5 m95 . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 120.735 0.303 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 34.1 m -107.47 161.58 14.7 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 124.405 1.082 . . . . 0.0 109.069 176.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -53.91 -19.23 4.24 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -56.16 -58.98 5.62 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-O 121.353 0.597 . . . . 0.0 110.575 171.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -81.18 -34.32 32.43 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.102 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 89.3 mtp -75.33 -23.29 57.24 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.407 0.683 . . . . 0.0 112.022 -177.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.1 -42.42 58.7 Favored Glycine 0 C--N 1.338 0.674 0 N-CA-C 111.642 -0.583 . . . . 0.0 111.642 174.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.9 m -68.44 -36.73 79.45 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.349 0.66 . . . . 0.0 110.583 175.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.77 -48.95 74.88 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.425 0.69 . . . . 0.0 110.09 176.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -61.04 -41.26 96.25 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.653 1.181 . . . . 0.0 110.836 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -62.66 -39.72 94.78 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.454 0.702 . . . . 0.0 109.559 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.27 -42.01 96.44 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.513 176.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.486 HD13 HD23 ' A' ' 48' ' ' LEU . 35.4 mt -67.19 -32.77 74.07 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.872 0.869 . . . . 0.0 110.766 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 tt -80.93 -31.69 34.94 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.655 0.782 . . . . 0.0 111.881 177.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -84.41 -60.09 2.18 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-O 121.29 0.567 . . . . 0.0 110.59 -175.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -81.04 -57.84 3.34 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.452 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 135.17 -163.72 24.84 Favored Glycine 0 C--N 1.341 0.806 0 CA-C-N 114.302 -1.317 . . . . 0.0 110.561 -170.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -83.96 24.62 0.89 Allowed 'General case' 0 CA--C 1.565 1.544 0 CA-C-N 117.642 0.721 . . . . 0.0 111.218 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.452 ' O ' HG12 ' A' ' 23' ' ' ILE . 1.8 m-20 -67.93 96.26 0.58 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.611 1.164 . . . . 0.0 109.299 -179.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -50.77 -47.83 59.46 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.854 1.261 . . . . 0.0 112.542 -167.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.9 t -61.98 -44.42 96.78 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.724 0.81 . . . . 0.0 111.64 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.72 -33.23 75.19 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.759 0.424 . . . . 0.0 111.474 -177.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.52 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 10.5 mm -82.03 -39.2 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-O 121.038 0.446 . . . . 0.0 110.294 179.309 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.97 -39.17 90.15 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.995 0.918 . . . . 0.0 111.693 -176.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -81.11 -23.5 38.35 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.796 0.838 . . . . 0.0 110.915 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.2 ttt -72.27 -59.79 2.56 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.946 0.498 . . . . 0.0 110.67 177.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.3 m -85.62 -48.96 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 122.706 0.403 . . . . 0.0 111.798 -174.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.09 -30.08 32.31 Favored Glycine 0 C--N 1.344 0.974 0 CA-C-O 119.768 -0.462 . . . . 0.0 113.773 -176.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.1 t 61.59 32.44 18.6 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.372 1.069 . . . . 0.0 109.674 -169.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.526 ' HG3' ' H ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -135.24 -178.19 4.99 Favored 'General case' 0 CA--C 1.556 1.193 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.823 -168.44 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.526 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 20.3 m -47.75 148.79 1.43 Allowed 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 126.21 1.804 . . . . 0.0 113.412 -179.172 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.1 p -50.9 -31.21 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 C-N-CA 124.996 1.318 . . . . 0.0 112.829 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.2 m -57.39 -32.86 67.24 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.114 1.366 . . . . 0.0 112.504 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -56.77 -55.22 37.02 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.242 1.017 . . . . 0.0 111.655 -173.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.52 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 34.6 t -70.55 -29.45 65.91 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 120.984 0.421 . . . . 0.0 111.191 -178.178 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -72.07 -33.84 68.25 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.566 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -78.03 -22.01 49.87 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.069 0.548 . . . . 0.0 111.095 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -65.16 -30.92 71.88 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.057 0.543 . . . . 0.0 110.36 170.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.53 ' HE1' ' HG ' ' A' ' 48' ' ' LEU . 16.2 t80 -63.41 -28.76 70.2 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.702 0.801 . . . . 0.0 112.713 -171.236 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -84.92 -23.62 28.77 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.654 0.781 . . . . 0.0 110.522 -178.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -103.13 154.74 18.99 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.723 0.809 . . . . 0.0 110.064 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 66.84 -10.13 0.32 Allowed 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 124.703 1.201 . . . . 0.0 113.882 175.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -65.7 -11.01 41.6 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.164 0.986 . . . . 0.0 112.74 -175.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -49.19 -51.58 31.94 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.039 1.336 . . . . 0.0 111.631 173.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -113.26 -14.89 12.79 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.7 0.8 . . . . 0.0 111.623 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.44 96.22 5.32 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -179.272 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -76.72 88.49 3.37 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 172.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.53 ' HG ' ' HE1' ' A' ' 39' ' ' TYR . 3.3 tm? -65.24 -35.75 82.01 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.817 171.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -59.26 -33.74 71.4 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.512 178.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -64.15 -53.61 46.74 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.456 0.702 . . . . 0.0 109.918 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.2 mt -58.23 -49.43 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.381 -174.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -73.99 -41.61 61.66 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 114.657 -1.156 . . . . 0.0 111.728 -174.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -63.8 -42.53 97.7 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 122.715 0.406 . . . . 0.0 110.84 -177.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -68.02 -45.88 72.77 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.266 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -59.77 -40.84 89.57 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 122.459 0.304 . . . . 0.0 110.372 174.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -59.66 -54.46 46.2 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.415 1.086 . . . . 0.0 111.431 -176.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 pp -74.9 -30.18 61.21 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -175.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.534 ' HA ' ' HE3' ' A' ' 61' ' ' LYS . 67.1 mttm -66.51 -47.69 72.16 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 122.641 0.376 . . . . 0.0 110.254 176.095 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 51.9 ttp -67.41 -34.77 77.95 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 114.966 -1.016 . . . . 0.0 111.017 -177.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -74.74 -44.54 49.31 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.535 0.734 . . . . 0.0 110.758 -173.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.534 ' HE3' ' HA ' ' A' ' 58' ' ' LYS . 22.5 pttp -65.89 -39.19 90.4 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.68 0.392 . . . . 0.0 111.198 -175.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.88 -23.89 52.59 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.8 177.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -64.13 -48.58 75.53 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 176.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -59.97 -40.97 90.89 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.513 0.325 . . . . 0.0 110.79 176.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.73 -35.88 81.16 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.552 0.741 . . . . 0.0 112.168 -178.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -87.14 -6.71 58.55 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 122.842 0.457 . . . . 0.0 111.416 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -106.99 16.34 24.34 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.078 0.551 . . . . 0.0 111.852 177.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -130.09 111.36 12.39 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 121.389 0.614 . . . . 0.0 111.234 176.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -107.57 52.76 0.71 Allowed 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 168.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.0 85.18 1.78 Allowed 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.158 -0.928 . . . . 0.0 108.623 -177.159 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.2 tptt . . . . . 0 CA--C 1.55 0.943 0 CA-C-N 114.319 -1.309 . . . . 0.0 108.791 -178.486 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 75.1 m95 . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.9 m -76.17 170.28 16.6 Favored 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 124.438 1.095 . . . . 0.0 109.481 171.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -61.72 -21.57 64.61 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -171.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -72.18 -51.74 19.8 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.845 0.858 . . . . 0.0 110.916 -176.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -77.7 -29.69 51.45 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.618 0.767 . . . . 0.0 110.321 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 45.5 tpp -59.14 -38.06 78.77 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.067 0.947 . . . . 0.0 109.862 168.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.77 -28.07 59.72 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-N 115.184 -0.917 . . . . 0.0 113.307 177.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 m -72.29 -33.16 67.21 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.101 0.561 . . . . 0.0 109.638 173.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.79 -29.36 50.8 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.957 0.903 . . . . 0.0 110.755 175.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.543 ' HG2' HD13 ' A' ' 51' ' ' ILE . 4.9 tmtm? -63.86 -47.58 80.16 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.666 0.786 . . . . 0.0 108.969 172.27 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -63.68 -41.58 98.13 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.756 1.222 . . . . 0.0 110.785 176.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.84 -58.88 8.27 Favored Glycine 0 C--N 1.343 0.95 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.124 -178.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.409 HD23 HG13 ' A' ' 23' ' ' ILE . 23.5 mt -59.61 -30.29 68.58 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.205 1.002 . . . . 0.0 110.771 -179.179 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 tt -60.93 -61.76 2.35 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 172.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -67.92 -59.94 2.89 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.548 0.739 . . . . 0.0 110.703 -170.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.469 ' HB2' HD11 ' A' ' 23' ' ' ILE . 76.8 m-70 -64.89 -25.61 67.97 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 115.201 -0.908 . . . . 0.0 111.52 -176.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.34 63.61 2.34 Favored Glycine 0 C--N 1.352 1.423 0 O-C-N 123.159 0.287 . . . . 0.0 112.634 175.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.414 ' HB2' HD11 ' A' ' 52' ' ' LEU . 28.5 ttp180 56.6 24.07 8.39 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.334 1.454 . . . . 0.0 113.611 177.641 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.474 ' O ' HG12 ' A' ' 23' ' ' ILE . 6.8 m-80 -77.61 84.47 3.98 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 174.37 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.781 ' HE3' ' HG ' ' A' ' 35' ' ' CYS . 68.5 m95 -55.46 -31.47 61.99 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.758 1.223 . . . . 0.0 112.207 -169.186 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.3 t -63.9 -50.33 69.17 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.338 0.655 . . . . 0.0 110.078 176.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.72 -34.47 77.24 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.47 -178.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.523 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 20.1 mm -78.66 -41.98 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.319 0.648 . . . . 0.0 110.072 -176.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.74 -31.0 71.15 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.951 178.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.8 mtp85 -82.03 -38.14 25.44 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.688 0.795 . . . . 0.0 111.252 175.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.1 ttt -71.04 -62.61 1.33 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.154 0.582 . . . . 0.0 111.373 -175.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.3 m -89.77 -36.89 9.05 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 C-N-CA 123.568 0.747 . . . . 0.0 112.134 -177.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.37 -36.96 13.0 Favored Glycine 0 C--N 1.348 1.232 0 CA-C-N 115.879 -0.6 . . . . 0.0 113.992 -175.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 t 66.64 31.45 7.71 Favored 'General case' 0 CA--C 1.561 1.4 0 C-N-CA 124.673 1.189 . . . . 0.0 111.513 -176.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.491 ' HG2' ' H ' ' A' ' 31' ' ' THR . 64.4 tttt -157.91 -170.14 3.07 Favored 'General case' 0 CA--C 1.565 1.53 0 C-N-CA 123.243 0.617 . . . . 0.0 110.424 -175.287 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.491 ' H ' ' HG2' ' A' ' 30' ' ' LYS . 16.4 m -61.93 157.09 19.27 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.653 1.181 . . . . 0.0 113.303 -174.296 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.6 t -44.66 -36.31 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 C-N-CA 126.131 1.772 . . . . 0.0 112.93 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.2 t -48.94 -44.46 40.6 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.053 1.341 . . . . 0.0 112.455 -179.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -62.8 -37.58 87.3 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.215 0.606 . . . . 0.0 112.092 -175.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.781 ' HG ' ' HE3' ' A' ' 20' ' ' TRP . 49.3 t -71.25 -28.27 64.05 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 120.804 0.335 . . . . 0.0 110.79 177.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -71.48 -49.11 44.5 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.173 0.589 . . . . 0.0 111.634 177.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -73.13 -21.6 60.69 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.814 0.445 . . . . 0.0 111.073 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -58.13 -41.34 83.47 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.509 1.124 . . . . 0.0 110.854 170.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -63.13 -32.35 73.71 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.124 -173.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -92.43 177.34 6.16 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.18 0.992 . . . . 0.0 109.728 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 78.31 -52.33 0.49 Allowed 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 125.445 1.498 . . . . 0.0 112.126 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -87.19 179.0 6.72 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.591 0.757 . . . . 0.0 110.816 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -73.47 89.23 1.65 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 122.817 0.447 . . . . 0.0 110.695 -177.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -90.42 46.19 1.32 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.258 0.623 . . . . 0.0 109.83 173.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -79.01 72.05 5.5 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.037 0.935 . . . . 0.0 110.134 -176.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 43.97 20.09 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.954 0 C-N-CA 127.006 2.122 . . . . 0.0 115.22 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -71.57 -57.92 3.96 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -177.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.454 ' HA ' HD12 ' A' ' 51' ' ' ILE . 2.5 tm? -67.13 -28.55 68.23 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.626 0.77 . . . . 0.0 110.45 179.546 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -60.33 -42.38 95.54 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.367 0.667 . . . . 0.0 110.747 176.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 37.5 tt0 -68.42 -50.14 54.85 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.044 176.396 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.543 HD13 ' HG2' ' A' ' 10' ' ' LYS . 95.0 mt -50.59 -44.47 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 C-N-CA 124.346 1.058 . . . . 0.0 111.258 -178.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.414 HD11 ' HB2' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -70.17 -44.19 69.28 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.484 -177.128 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -66.64 -38.52 87.08 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.086 -178.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 79.7 mm-40 -69.3 -45.61 69.16 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -59.31 -36.35 75.46 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 122.857 0.463 . . . . 0.0 110.67 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -62.76 -55.69 24.26 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 123.73 0.644 . . . . 0.0 110.515 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 pp -71.72 -32.35 67.68 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 123.604 0.565 . . . . 0.0 111.868 -173.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -65.15 -55.87 16.16 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.358 0.663 . . . . 0.0 109.379 176.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 45.3 ttp -54.73 -45.75 74.15 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 124.35 1.031 . . . . 0.0 110.972 178.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -61.37 -47.99 83.33 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.632 0.773 . . . . 0.0 111.437 -173.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -73.9 -41.59 61.92 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.36 -174.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.5 -32.33 66.09 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 120.638 0.256 . . . . 0.0 110.858 -177.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -72.47 -39.47 67.7 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.616 177.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -70.57 -29.0 65.32 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 122.964 0.506 . . . . 0.0 110.609 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.49 -27.62 31.67 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.708 0.803 . . . . 0.0 111.921 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -85.41 -25.4 27.02 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 122.557 0.343 . . . . 0.0 110.13 174.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.3 mmm180 -76.3 -19.56 58.14 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 165.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 84.5 tttt 69.0 28.07 5.22 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 124.987 1.315 . . . . 0.0 111.251 165.02 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -117.81 -173.5 2.45 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.548 0.739 . . . . 0.0 110.88 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? 64.84 79.08 0.26 Allowed 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.516 1.526 . . . . 0.0 109.42 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.161 0 C-N-CA 124.417 1.087 . . . . 0.0 109.943 177.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 66.2 m95 . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.5 m -69.8 161.58 29.56 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.943 0.897 . . . . 0.0 109.406 172.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -53.27 -35.54 60.16 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.035 0.934 . . . . 0.0 112.318 -173.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -60.55 -56.96 15.05 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.286 0.634 . . . . 0.0 111.378 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -74.12 -30.67 62.43 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.795 0.838 . . . . 0.0 111.228 -176.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 48.6 tpp -60.45 -43.72 96.59 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.309 1.044 . . . . 0.0 109.779 172.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.68 -28.25 65.62 Favored Glycine 0 C--N 1.351 1.391 0 CA-C-N 114.941 -1.027 . . . . 0.0 112.956 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.4 m -69.93 -42.44 73.26 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.052 0.541 . . . . 0.0 109.806 175.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.17 -54.23 40.88 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.518 177.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -49.43 -44.84 45.78 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.402 1.481 . . . . 0.0 111.805 175.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -62.19 -50.77 70.46 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.854 0.722 . . . . 0.0 110.683 -178.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.57 -31.2 79.96 Favored Glycine 0 C--N 1.346 1.128 0 O-C-N 124.063 0.852 . . . . 0.0 113.45 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.623 HD13 HD23 ' A' ' 48' ' ' LEU . 78.3 mt -78.31 -33.72 49.17 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.828 0.851 . . . . 0.0 110.697 179.286 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 tt -76.67 -25.94 54.24 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.49 0.716 . . . . 0.0 109.498 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -90.81 -63.03 1.33 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.378 0.671 . . . . 0.0 111.798 -176.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -82.1 -51.22 8.21 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.809 0.844 . . . . 0.0 110.324 -175.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.422 ' HA2' HD21 ' A' ' 52' ' ' LEU . . . 88.75 92.76 1.09 Allowed Glycine 0 C--N 1.343 0.956 0 CA-C-N 115.866 -0.606 . . . . 0.0 113.488 177.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 67.68 7.47 5.69 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 170.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.506 ' O ' HG12 ' A' ' 23' ' ' ILE . 19.5 m120 -79.93 77.13 6.62 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.013 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.588 ' HE3' ' SG ' ' A' ' 35' ' ' CYS . 14.2 m95 -56.1 -29.14 60.18 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.25 1.02 . . . . 0.0 112.045 -170.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.406 ' HA ' HG22 ' A' ' 32' ' ' VAL . 29.0 p -59.41 -51.72 68.67 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.887 0.875 . . . . 0.0 110.759 175.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.33 -40.05 81.74 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.234 -0.893 . . . . 0.0 111.126 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.622 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 18.3 mm -68.31 -41.77 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 O-C-N 123.499 0.499 . . . . 0.0 110.113 -175.517 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.11 -34.02 77.09 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.436 0.694 . . . . 0.0 111.543 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -79.75 -24.5 41.52 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.952 176.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.8 ttt -73.33 -55.79 5.94 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.481 0.712 . . . . 0.0 110.62 178.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 23' ' ' ILE . 28.6 m -85.64 -52.0 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 122.976 0.51 . . . . 0.0 111.621 -177.001 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.99 -37.1 11.84 Favored Glycine 0 C--N 1.341 0.832 0 CA-C-O 119.918 -0.379 . . . . 0.0 113.412 -174.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.7 t 64.31 21.48 12.52 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.287 1.035 . . . . 0.0 109.81 -163.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -120.99 -166.42 1.34 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.722 1.209 . . . . 0.0 110.144 -171.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 86.9 m -64.77 157.6 27.13 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 124.767 1.227 . . . . 0.0 111.895 179.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.406 HG22 ' HA ' ' A' ' 21' ' ' SER . 81.3 t -49.25 -30.0 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 C-N-CA 125.351 1.461 . . . . 0.0 112.725 179.063 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.4 m -46.83 -47.83 21.01 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.434 1.494 . . . . 0.0 112.331 178.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -61.12 -33.15 72.92 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 124.076 0.951 . . . . 0.0 112.863 -175.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.622 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 50.1 t -74.82 -37.56 62.26 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.055 0.455 . . . . 0.0 110.639 177.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -69.31 -28.24 66.09 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.949 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -59.03 -53.67 55.72 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.453 0.701 . . . . 0.0 109.87 174.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -50.84 -40.0 54.78 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.596 0.758 . . . . 0.0 111.789 177.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.489 ' HE1' HD12 ' A' ' 48' ' ' LEU . 26.0 t80 -63.12 -33.52 75.64 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.389 -173.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -111.75 7.18 20.18 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.459 0.704 . . . . 0.0 111.958 -177.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -109.1 20.94 17.8 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.346 0.658 . . . . 0.0 111.508 178.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -141.91 139.23 32.49 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 177.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -136.98 110.56 8.01 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.425 0.69 . . . . 0.0 110.219 -175.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 83.2 tttt 179.76 163.32 1.01 Allowed 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.017 1.327 . . . . 0.0 107.976 176.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.9 ttt85 -65.63 -45.72 81.99 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 118.79 0.723 . . . . 0.0 109.465 168.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -71.69 80.66 0.84 Allowed 'General case' 0 C--N 1.351 0.672 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.663 174.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -139.65 -165.33 1.85 Allowed 'General case' 0 C--O 1.244 0.779 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.771 -178.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.623 HD23 HD13 ' A' ' 13' ' ' LEU . 2.8 tm? -51.24 -33.92 30.16 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.173 0.989 . . . . 0.0 111.922 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -50.72 -54.97 18.89 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.787 0.835 . . . . 0.0 112.281 -178.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 12.3 pt-20 -84.17 -21.96 31.14 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 118.998 -0.525 . . . . 0.0 112.114 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.73 -38.26 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 CA-C-O 121.312 0.577 . . . . 0.0 109.878 173.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.485 HD23 HD21 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -79.93 -30.07 39.87 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.384 179.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.412 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 23.2 tp60 -59.52 -41.43 89.96 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 170.347 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 87.3 mm-40 -62.83 -53.71 50.11 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 123.857 0.723 . . . . 0.0 109.914 174.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -50.94 -38.13 48.45 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.319 0.647 . . . . 0.0 111.364 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -67.12 -62.31 1.49 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.636 0.774 . . . . 0.0 110.248 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 pp -68.42 -31.9 71.57 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 123.584 0.553 . . . . 0.0 112.251 -168.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -65.32 -54.47 28.6 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.697 0.799 . . . . 0.0 111.32 -176.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 65.0 ttp -69.24 -37.85 78.2 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.587 0.555 . . . . 0.0 110.191 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -65.58 -47.9 74.21 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.161 0.584 . . . . 0.0 110.906 -174.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.37 -38.87 81.79 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.896 0.478 . . . . 0.0 111.398 -174.192 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -77.45 -26.54 51.6 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 123.389 0.431 . . . . 0.0 110.291 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -71.8 -44.48 63.88 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 122.967 0.507 . . . . 0.0 109.738 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.505 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 68.1 m-80 -61.19 -44.4 97.35 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 173.364 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.7 97.61 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 124.062 0.851 . . . . 0.0 112.442 -177.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -76.98 -29.54 55.55 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 122.68 0.392 . . . . 0.0 111.744 -174.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -73.37 -53.13 11.49 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 122.889 0.475 . . . . 0.0 110.952 -177.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 64' ' ' ASN . 22.3 pttp -93.77 16.86 13.06 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 122.823 0.449 . . . . 0.0 111.621 -176.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -59.46 102.0 0.12 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.677 0.791 . . . . 0.0 111.182 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -161.34 131.29 4.89 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 124.271 1.029 . . . . 0.0 108.751 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt . . . . . 0 CA--C 1.559 1.299 0 C-N-CA 123.267 0.627 . . . . 0.0 109.94 177.996 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 37.6 m95 . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.1 m -68.81 153.11 44.37 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.42 0.688 . . . . 0.0 109.782 171.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.54 ' HA ' ' HB2' ' A' ' 6' ' ' MET . 45.2 mt-10 -53.5 -19.64 3.93 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.118 0.967 . . . . 0.0 113.419 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -63.48 -57.14 11.17 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.535 0.734 . . . . 0.0 110.87 176.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 pm0 -76.98 -28.64 55.19 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.051 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.54 ' HB2' ' HA ' ' A' ' 3' ' ' GLU . 87.9 mmm -61.89 -38.46 88.4 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.975 0.51 . . . . 0.0 110.777 172.352 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.16 -40.95 71.03 Favored Glycine 0 C--N 1.345 1.047 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.317 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.5 m -68.67 -30.61 69.33 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.225 0.61 . . . . 0.0 110.671 176.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.0 -48.97 40.92 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.282 0.633 . . . . 0.0 109.422 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -57.31 -40.78 78.6 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.575 1.15 . . . . 0.0 110.463 175.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -63.59 -44.62 93.48 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.633 0.773 . . . . 0.0 109.623 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -60.57 -39.64 96.74 Favored Glycine 0 C--N 1.344 1.02 0 O-C-N 123.812 0.695 . . . . 0.0 112.524 177.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.546 HD13 HD23 ' A' ' 48' ' ' LEU . 26.4 mt -76.67 -26.48 54.84 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 123.892 0.877 . . . . 0.0 110.599 -178.249 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.8 tp -80.23 -24.77 39.96 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.298 1.039 . . . . 0.0 111.952 173.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -108.86 -64.18 1.26 Allowed 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.486 0.714 . . . . 0.0 111.502 -173.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.0 m80 -77.09 -16.59 59.15 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.734 0.814 . . . . 0.0 110.799 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.93 -147.63 23.95 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-N 115.77 -0.65 . . . . 0.0 113.16 175.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -82.41 -2.19 52.35 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.09 0.956 . . . . 0.0 111.734 -173.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.501 ' O ' HG12 ' A' ' 23' ' ' ILE . 56.9 t-20 -62.97 92.06 0.05 OUTLIER 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.642 0.777 . . . . 0.0 109.447 -176.336 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.577 ' HE3' ' HG ' ' A' ' 35' ' ' CYS . 20.0 m95 -57.52 -30.76 65.43 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.908 0.883 . . . . 0.0 111.283 -174.207 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.2 t -66.79 -44.71 80.56 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.489 0.715 . . . . 0.0 110.223 177.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.9 -35.59 77.03 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.743 0.417 . . . . 0.0 111.525 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.501 HG12 ' O ' ' A' ' 19' ' ' ASN . 11.5 mm -75.76 -42.55 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -178.236 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.66 -30.63 71.65 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.076 0.551 . . . . 0.0 110.625 177.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -77.27 -31.74 55.08 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.097 0.959 . . . . 0.0 110.547 177.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.2 ttt -78.0 -63.51 1.37 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.621 0.768 . . . . 0.0 111.656 -178.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 23' ' ' ILE . 18.8 m -88.4 -37.49 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 123.363 0.665 . . . . 0.0 112.2 -174.217 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.21 -27.48 44.34 Favored Glycine 0 C--N 1.344 1.011 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.638 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.8 t 63.85 18.41 11.14 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 124.834 1.254 . . . . 0.0 111.058 -174.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.462 ' HG2' ' H ' ' A' ' 31' ' ' THR . 57.3 tttt -137.61 -173.33 3.46 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.647 0.779 . . . . 0.0 110.342 -169.129 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.462 ' H ' ' HG2' ' A' ' 30' ' ' LYS . 7.2 m -73.83 160.19 31.8 Favored 'General case' 0 CA--C 1.57 1.745 0 C-N-CA 123.89 0.876 . . . . 0.0 112.172 -174.17 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.3 p -44.89 -32.48 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 C-N-CA 126.698 1.999 . . . . 0.0 115.655 -167.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.6 t -55.44 -33.46 63.6 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.626 0.77 . . . . 0.0 112.103 -174.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -56.96 -52.78 63.87 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 122.908 0.483 . . . . 0.0 112.186 -177.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.577 ' HG ' ' HE3' ' A' ' 20' ' ' TRP . 42.5 t -81.9 -31.87 31.21 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -175.085 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -68.34 -38.95 81.99 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -69.74 -38.05 76.68 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 119.163 -0.446 . . . . 0.0 110.258 173.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -54.25 -29.17 45.85 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.457 0.703 . . . . 0.0 111.725 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -63.73 -32.53 74.05 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 122.802 0.441 . . . . 0.0 111.531 -177.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -100.07 -36.82 9.22 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.27 1.028 . . . . 0.0 110.463 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -60.68 -39.26 87.77 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.652 1.181 . . . . 0.0 110.097 177.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -80.58 98.97 7.86 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 106.121 -1.807 . . . . 0.0 106.121 162.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -71.65 88.2 0.96 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.364 0.666 . . . . 0.0 110.467 -165.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm 28.68 74.01 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 127.14 2.176 . . . . 0.0 114.292 173.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -150.04 -1.73 0.41 Allowed 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.741 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -87.88 145.78 25.89 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 123.552 0.741 . . . . 0.0 109.364 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -91.65 34.5 0.98 Allowed 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.492 0.717 . . . . 0.0 110.832 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.546 HD23 HD13 ' A' ' 13' ' ' LEU . 2.8 tm? -58.27 -33.62 69.61 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.911 1.285 . . . . 0.0 111.184 -177.471 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -54.45 -43.28 71.49 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.285 176.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -79.35 -37.25 37.91 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.039 0.536 . . . . 0.0 111.223 177.084 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.1 mt -57.87 -40.29 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 C-N-CA 123.016 0.526 . . . . 0.0 110.617 -177.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -75.23 -33.14 61.32 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.715 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.459 ' HG3' HD23 ' A' ' 57' ' ' LEU . 60.8 tp60 -66.98 -44.04 81.46 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 178.026 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -64.57 -42.46 95.63 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.795 0.838 . . . . 0.0 109.74 177.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -54.28 -44.64 72.05 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.69 0.619 . . . . 0.0 110.43 175.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -68.56 -61.42 1.83 Allowed 'General case' 0 CA--C 1.542 0.654 0 O-C-N 123.851 0.719 . . . . 0.0 111.634 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.459 HD23 ' HG3' ' A' ' 53' ' ' GLN . 4.3 pp -64.28 -32.56 74.21 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.105 0.562 . . . . 0.0 112.043 -168.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -76.13 -35.63 59.16 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.232 0.613 . . . . 0.0 110.834 177.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 49.0 tpp -63.73 -53.46 50.82 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -64.4 -28.75 69.9 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.011 0.924 . . . . 0.0 111.43 -178.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -64.44 -57.03 10.43 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.349 0.659 . . . . 0.0 110.433 177.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.87 -30.24 65.21 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.465 -178.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.4 ttp85 -74.68 -39.23 62.12 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.297 0.639 . . . . 0.0 109.879 -175.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -75.23 -27.34 59.48 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.672 0.389 . . . . 0.0 110.212 176.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.25 -33.14 69.53 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.611 0.764 . . . . 0.0 111.773 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -86.15 -26.09 25.37 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.522 0.329 . . . . 0.0 110.684 176.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -79.93 -4.26 51.63 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.073 0.549 . . . . 0.0 111.071 172.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -71.76 96.11 1.58 Allowed 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 176.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -162.84 7.36 0.05 Allowed 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 123.228 0.611 . . . . 0.0 111.752 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -63.36 109.21 1.52 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.056 0.543 . . . . 0.0 111.449 -178.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm . . . . . 0 C--O 1.253 1.274 0 C-N-CA 123.337 0.655 . . . . 0.0 109.786 177.42 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 60.8 m95 . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 120.636 0.255 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.437 HG22 ' H ' ' A' ' 4' ' ' GLU . 92.0 m -75.14 152.93 38.45 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.096 0.959 . . . . 0.0 109.437 170.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -55.33 -23.83 25.9 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.75 0.82 . . . . 0.0 112.717 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.437 ' H ' HG22 ' A' ' 2' ' ' THR . 41.1 mt-10 -73.55 -54.61 7.79 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.219 0.608 . . . . 0.0 111.159 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -68.61 -30.3 69.0 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 122.676 0.39 . . . . 0.0 110.552 178.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 47.8 ttm -68.35 -36.34 79.09 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.306 1.042 . . . . 0.0 110.097 174.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.74 -29.09 65.91 Favored Glycine 0 C--N 1.349 1.258 0 CA-C-N 115.338 -0.847 . . . . 0.0 112.758 174.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.5 m -78.58 -29.37 46.15 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.46 0.704 . . . . 0.0 109.747 176.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.516 ' O ' ' HG ' ' A' ' 13' ' ' LEU . . . -68.44 -48.16 65.31 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 173.248 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -53.45 -41.47 66.16 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 124.725 1.265 . . . . 0.0 110.518 172.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -64.29 -41.57 96.81 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.657 0.783 . . . . 0.0 110.599 177.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.16 -34.9 89.58 Favored Glycine 0 C--N 1.342 0.89 0 O-C-N 123.415 0.447 . . . . 0.0 113.043 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 9' ' ' ALA . 36.9 mt -76.12 -27.62 57.14 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.635 0.774 . . . . 0.0 109.909 177.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.1 tp -78.37 -26.36 46.6 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.204 1.002 . . . . 0.0 111.24 173.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -91.73 -63.21 1.28 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.567 0.747 . . . . 0.0 111.083 -174.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -90.83 -43.31 10.13 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.149 0.98 . . . . 0.0 110.68 -177.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.48 -170.29 13.32 Favored Glycine 0 C--O 1.243 0.658 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.746 -168.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.487 ' HG2' HD22 ' A' ' 13' ' ' LEU . 63.7 mtm180 -86.44 53.62 2.87 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.181 0.593 . . . . 0.0 112.093 -177.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.453 ' O ' HG12 ' A' ' 23' ' ' ILE . 19.4 t-20 -86.14 92.13 8.65 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 169.203 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 43.2 m95 -53.13 -46.13 68.65 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.833 1.253 . . . . 0.0 112.758 -165.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.8 t -67.22 -38.51 85.4 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.266 0.627 . . . . 0.0 111.757 -177.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.76 -41.16 79.25 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 122.723 0.409 . . . . 0.0 111.028 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.453 HG12 ' O ' ' A' ' 19' ' ' ASN . 29.7 mm -74.46 -32.52 30.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.168 -178.441 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.31 -25.65 61.65 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 122.829 0.451 . . . . 0.0 110.747 175.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -81.97 -29.03 32.36 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.15 0.58 . . . . 0.0 110.149 173.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.1 ttt -72.38 -62.36 1.47 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.207 0.603 . . . . 0.0 110.554 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 23' ' ' ILE . 12.2 m -89.85 -41.34 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.316 0.646 . . . . 0.0 112.286 -174.162 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.18 -25.89 50.21 Favored Glycine 0 C--N 1.345 1.067 0 CA-C-N 116.033 -0.531 . . . . 0.0 113.092 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.9 t 58.42 31.39 20.9 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.567 1.147 . . . . 0.0 110.613 -175.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.492 ' HG3' ' H ' ' A' ' 31' ' ' THR . 9.2 tppt? -148.8 -165.02 2.16 Favored 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 123.549 0.74 . . . . 0.0 109.457 -169.089 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.492 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 10.2 t -72.11 165.2 24.8 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.65 0.78 . . . . 0.0 112.513 -176.636 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.1 p -46.48 -35.55 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 C-N-CA 125.963 1.705 . . . . 0.0 113.976 -177.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.4 t -50.75 -36.93 39.11 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.752 1.221 . . . . 0.0 112.865 -172.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -65.3 -45.88 82.63 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.97 0.508 . . . . 0.0 112.171 -173.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 44.7 t -80.73 -37.9 29.73 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.316 0.247 . . . . 0.0 111.143 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -73.69 -49.23 26.8 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.699 0.4 . . . . 0.0 111.029 -171.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -68.16 -32.71 73.16 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 119.17 -0.443 . . . . 0.0 110.964 177.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -56.67 -42.45 79.03 Favored 'General case' 0 N--CA 1.483 1.223 0 O-C-N 123.229 0.331 . . . . 0.0 110.86 171.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -77.95 -38.31 45.55 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.555 -174.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -74.62 -24.17 58.81 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.293 0.637 . . . . 0.0 110.886 -179.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -104.92 -175.16 2.71 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.552 1.141 . . . . 0.0 109.687 172.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 50.4 t80 55.72 73.11 0.45 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.308 1.043 . . . . 0.0 110.504 177.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -63.1 162.43 11.65 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.872 0.869 . . . . 0.0 112.102 -173.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? 68.1 32.63 4.84 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.639 1.176 . . . . 0.0 110.905 -172.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.753 ' HD3' ' H ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -89.44 11.96 17.77 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 114.662 -1.154 . . . . 0.0 109.443 163.358 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -67.74 -10.6 53.97 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.559 1.544 . . . . 0.0 112.602 -178.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -61.13 -37.42 82.74 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.891 0.877 . . . . 0.0 110.331 169.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.519 ' HA ' HD12 ' A' ' 51' ' ' ILE . 2.9 tm? -64.52 -30.09 71.12 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.577 0.751 . . . . 0.0 111.012 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -54.06 -41.08 67.75 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.192 0.597 . . . . 0.0 111.259 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 34.2 tt0 -67.01 -49.08 66.44 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.538 175.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.519 HD12 ' HA ' ' A' ' 48' ' ' LEU . 77.7 mt -56.63 -39.86 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 C-N-CA 124.778 1.231 . . . . 0.0 111.439 -176.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -69.91 -41.29 74.87 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.423 -178.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -63.1 -36.15 82.63 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.393 175.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 85.0 mm-40 -63.52 -46.5 85.75 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 123.398 0.437 . . . . 0.0 109.835 -179.581 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -52.13 -42.53 63.39 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.755 0.822 . . . . 0.0 111.227 174.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -66.57 -52.31 46.88 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.706 0.803 . . . . 0.0 111.851 -178.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 pp -72.85 -27.06 61.7 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -172.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.427 ' HE2' ' HB3' ' A' ' 54' ' ' GLN . 65.9 mttm -65.72 -48.42 72.0 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 174.504 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 48.7 ttm -66.41 -36.04 81.83 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 124.296 0.998 . . . . 0.0 111.245 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -67.39 -48.11 68.33 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.018 0.927 . . . . 0.0 111.431 -178.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 pttm -65.11 -39.58 93.32 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.478 0.711 . . . . 0.0 110.556 -174.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -81.02 -28.92 35.25 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.268 0.627 . . . . 0.0 110.706 -173.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.0 ttm105 -66.45 -49.55 66.3 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 123.745 0.653 . . . . 0.0 109.713 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -66.91 -40.52 87.72 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.853 178.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.53 -44.86 81.24 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.287 0.635 . . . . 0.0 111.438 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -79.0 -38.6 36.27 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.271 -177.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -87.13 -1.25 57.75 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -173.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -106.77 11.47 30.16 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.147 0.579 . . . . 0.0 111.055 172.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -63.86 102.59 0.48 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 122.6 0.36 . . . . 0.0 110.317 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -132.25 -0.25 3.69 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.173 0.989 . . . . 0.0 111.525 -177.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? . . . . . 0 C--O 1.25 1.122 0 C-N-CA 123.353 0.661 . . . . 0.0 109.4 179.847 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 98.6 m95 . . . . . 0 N--CA 1.478 0.948 0 CA-C-O 120.786 0.327 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 48.0 m -92.79 165.1 13.09 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.227 1.011 . . . . 0.0 108.676 169.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.536 ' HA ' ' HB3' ' A' ' 6' ' ' MET . 40.3 tt0 -51.27 -25.29 5.48 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 124.713 1.205 . . . . 0.0 113.329 -178.338 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -63.5 -56.53 15.34 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.031 0.932 . . . . 0.0 111.176 -178.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -77.94 -29.33 49.9 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.18 0.592 . . . . 0.0 111.085 176.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.536 ' HB3' ' HA ' ' A' ' 3' ' ' GLU . 31.4 tpp -62.93 -33.28 75.02 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 123.99 0.916 . . . . 0.0 110.452 176.573 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.82 -30.97 50.78 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-N 115.587 -0.733 . . . . 0.0 113.01 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.8 m -74.28 -34.75 63.65 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.348 0.659 . . . . 0.0 109.927 174.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.78 -37.2 76.26 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.346 0.658 . . . . 0.0 110.108 174.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.507 ' HG2' HD13 ' A' ' 51' ' ' ILE . 1.4 tmtp? -58.96 -47.86 83.6 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.545 1.138 . . . . 0.0 109.622 172.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -64.2 -36.23 83.38 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 124.33 1.019 . . . . 0.0 110.498 -178.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.6 -46.33 90.39 Favored Glycine 0 C--N 1.345 1.058 0 O-C-N 123.748 0.655 . . . . 0.0 112.262 175.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.5 mt -70.64 -24.17 62.67 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 123.737 0.815 . . . . 0.0 110.89 179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.0 tp -77.03 -37.71 54.31 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.74 0.816 . . . . 0.0 111.219 175.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -89.35 -63.61 1.26 Allowed 'General case' 0 N--CA 1.478 0.969 0 CA-C-O 121.215 0.531 . . . . 0.0 110.663 -176.266 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -73.38 -38.55 65.63 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.796 -176.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.54 -162.79 16.58 Favored Glycine 0 C--N 1.338 0.67 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.173 -172.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -79.26 36.77 0.3 Allowed 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.69 0.796 . . . . 0.0 112.083 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.429 ' O ' HG12 ' A' ' 23' ' ' ILE . 71.4 m-20 -77.95 79.27 4.42 Favored 'General case' 0 C--N 1.346 0.452 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 172.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.628 ' HE3' ' HG ' ' A' ' 35' ' ' CYS . 72.6 m95 -56.15 -36.15 67.96 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.17 0.988 . . . . 0.0 112.28 -168.343 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.0 p -62.71 -43.1 99.67 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.417 0.687 . . . . 0.0 111.105 175.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.3 -35.82 71.42 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.097 0.559 . . . . 0.0 111.456 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.432 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 22.2 mm -74.33 -39.02 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.33 -28.53 68.74 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.973 175.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -31.82 53.32 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.343 0.657 . . . . 0.0 110.457 176.194 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.4 ttt -77.25 -62.63 1.59 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.651 0.78 . . . . 0.0 111.403 -175.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 23' ' ' ILE . 22.1 m -88.06 -37.97 11.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 122.96 0.504 . . . . 0.0 111.651 -173.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.77 -41.85 8.61 Favored Glycine 0 C--N 1.345 1.036 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.802 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.1 t 59.43 26.61 15.57 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.66 1.184 . . . . 0.0 110.013 -165.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -127.4 -175.41 3.44 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.213 1.405 . . . . 0.0 110.239 -174.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 56.9 m -61.92 155.37 23.7 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.082 0.953 . . . . 0.0 111.66 -179.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.2 p -48.48 -33.56 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 C-N-CA 124.566 1.146 . . . . 0.0 112.616 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.3 m -49.15 -35.84 17.71 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.304 1.442 . . . . 0.0 112.59 177.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -59.7 -52.13 66.83 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.882 0.873 . . . . 0.0 111.069 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.628 ' HG ' ' HE3' ' A' ' 20' ' ' TRP . 41.5 t -75.12 -25.99 58.86 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 122.675 0.39 . . . . 0.0 111.402 -179.095 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -65.81 -61.07 2.27 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 122.649 0.38 . . . . 0.0 111.359 178.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -66.83 -28.69 68.56 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.702 0.401 . . . . 0.0 110.644 -176.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -48.53 -43.61 35.52 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.574 1.15 . . . . 0.0 111.155 170.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -70.92 -23.71 62.31 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.884 -173.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -88.67 -32.83 17.82 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.342 0.657 . . . . 0.0 110.065 175.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -83.82 123.43 29.9 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.525 0.73 . . . . 0.0 112.126 -172.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 17.4 t80 70.63 20.49 5.72 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 125.436 1.494 . . . . 0.0 112.269 170.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -85.71 75.74 10.04 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 121.49 0.662 . . . . 0.0 109.819 174.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -81.5 -45.94 15.22 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 167.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -97.68 141.8 30.26 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.934 164.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -141.6 93.76 2.6 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 170.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -101.39 21.16 14.6 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.411 173.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -79.59 -26.3 41.31 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 122.801 0.441 . . . . 0.0 109.951 -176.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -64.0 -43.12 96.64 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.418 176.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -72.13 -31.72 66.26 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.304 0.242 . . . . 0.0 110.446 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.507 HD13 ' HG2' ' A' ' 10' ' ' LYS . 86.0 mt -62.72 -45.92 97.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.764 0.826 . . . . 0.0 110.471 177.301 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -77.96 -25.82 48.44 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.642 178.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -65.25 -53.64 41.31 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.451 0.7 . . . . 0.0 109.692 177.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -67.42 -42.66 82.86 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.005 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -61.62 -31.38 71.46 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.337 0.398 . . . . 0.0 111.519 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -72.56 -54.54 8.89 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.814 0.446 . . . . 0.0 111.066 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 pp -69.74 -26.81 64.5 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.221 0.326 . . . . 0.0 111.185 -177.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.488 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 54.9 mtpt -73.86 -40.53 63.19 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.907 0.483 . . . . 0.0 110.331 173.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 50.6 tpp -60.77 -34.38 74.38 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 123.608 0.568 . . . . 0.0 109.706 175.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -70.67 -48.74 53.31 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.604 175.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.488 ' HG2' ' HA ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.63 -34.4 75.69 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 117.865 0.302 . . . . 0.0 111.164 -173.293 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.9 -39.71 49.98 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.606 0.362 . . . . 0.0 110.72 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -69.33 -36.17 76.68 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.446 0.699 . . . . 0.0 110.481 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -68.33 -42.86 78.73 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.591 0.757 . . . . 0.0 109.842 177.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.21 -43.77 98.34 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.881 0.872 . . . . 0.0 112.079 -177.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -83.98 -3.93 58.36 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.976 -175.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -126.12 32.42 5.24 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.578 0.751 . . . . 0.0 111.174 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -81.68 -11.76 58.94 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 175.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -73.73 88.53 1.75 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.248 0.619 . . . . 0.0 109.917 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -153.79 138.19 16.73 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.124 0.57 . . . . 0.0 109.946 -175.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt . . . . . 0 CA--C 1.554 1.127 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 175.081 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 69.4 m95 . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m -105.67 168.03 9.37 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 172.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.544 ' HA ' ' HB3' ' A' ' 6' ' ' MET . 33.3 mt-10 -65.12 -18.76 65.58 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -168.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -73.26 -54.8 7.52 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.594 0.758 . . . . 0.0 110.526 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.94 -30.23 68.64 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.422 0.689 . . . . 0.0 110.508 176.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.623 ' HG3' ' HZ ' ' A' ' 38' ' ' PHE . 35.8 ttm -63.93 -34.36 77.78 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.509 1.124 . . . . 0.0 110.901 173.191 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.08 -41.29 71.04 Favored Glycine 0 C--N 1.35 1.328 0 O-C-N 123.667 0.604 . . . . 0.0 112.446 176.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 m -65.99 -38.29 88.12 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.476 0.71 . . . . 0.0 110.353 177.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.9 -49.19 71.44 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.612 0.765 . . . . 0.0 109.92 177.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -51.25 -41.76 60.57 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.818 1.247 . . . . 0.0 111.317 175.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -62.22 -46.27 89.6 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.26 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.6 -30.3 77.53 Favored Glycine 0 C--N 1.343 0.954 0 O-C-N 123.207 0.317 . . . . 0.0 113.292 177.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.665 HD13 HD11 ' A' ' 48' ' ' LEU . 28.4 mt -79.09 -24.57 43.38 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 124.264 1.026 . . . . 0.0 110.456 178.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 tt -79.51 -31.56 42.22 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.226 1.01 . . . . 0.0 110.21 170.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -84.68 -63.77 1.28 Allowed 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.121 0.968 . . . . 0.0 111.35 -172.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -90.36 -46.67 8.23 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.416 1.086 . . . . 0.0 110.35 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.47 -154.97 16.55 Favored Glycine 0 C--O 1.236 0.277 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.949 -171.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -78.44 24.48 0.27 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.104 0.962 . . . . 0.0 113.347 -174.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.464 ' O ' HG12 ' A' ' 23' ' ' ILE . 48.7 t-20 -71.43 82.71 0.79 Allowed 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 168.442 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.413 ' HE3' ' SG ' ' A' ' 35' ' ' CYS . 53.4 m95 -61.0 -26.38 67.55 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.94 0.896 . . . . 0.0 111.352 -172.396 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.464 ' HA ' HG22 ' A' ' 32' ' ' VAL . 17.5 m -63.43 -48.43 77.8 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.714 0.806 . . . . 0.0 110.57 177.263 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.74 -36.36 80.42 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.317 0.647 . . . . 0.0 111.183 -178.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' ' 19' ' ' ASN . 9.1 mm -77.54 -44.6 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.932 -174.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.54 -21.13 64.57 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.648 0.779 . . . . 0.0 112.256 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.0 ttm-85 -77.5 -32.68 54.35 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 122.71 0.404 . . . . 0.0 110.427 172.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 62.6 ttp -77.28 -60.38 2.39 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.024 0.53 . . . . 0.0 111.059 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 23' ' ' ILE . 32.0 m -86.11 -41.7 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 123.413 0.685 . . . . 0.0 112.175 -173.265 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.79 -44.13 7.93 Favored Glycine 0 C--N 1.346 1.102 0 N-CA-C 111.842 -0.503 . . . . 0.0 111.842 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.3 m 60.54 14.77 5.11 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 125.195 1.398 . . . . 0.0 112.186 -171.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -126.7 -86.46 0.6 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.295 0.638 . . . . 0.0 111.324 -171.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.478 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 17.1 m -126.4 142.23 51.61 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.777 0.431 . . . . 0.0 110.716 -165.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.464 HG22 ' HA ' ' A' ' 21' ' ' SER . 62.8 t -67.67 -34.56 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 C-N-CA 123.799 0.84 . . . . 0.0 111.446 -178.415 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.8 t -57.77 -34.5 69.64 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.47 1.108 . . . . 0.0 113.099 -172.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 31' ' ' THR . 19.3 pt20 -71.73 -37.1 70.64 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -174.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.413 ' SG ' ' HE3' ' A' ' 20' ' ' TRP . 37.6 t -76.66 -31.14 57.11 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.22 -45.52 80.41 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.173 175.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -69.33 -35.05 75.54 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.779 0.831 . . . . 0.0 111.069 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.623 ' HZ ' ' HG3' ' A' ' 6' ' ' MET . 49.5 t80 -48.39 -40.96 27.48 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 125.453 1.501 . . . . 0.0 112.519 -175.497 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -55.89 -39.37 71.48 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 113.93 -1.486 . . . . 0.0 112.407 -173.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -121.22 0.87 10.2 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.071 0.948 . . . . 0.0 111.572 -175.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -62.09 -61.42 2.49 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.007 0.923 . . . . 0.0 110.608 -178.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -76.88 170.72 15.98 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 114.783 -1.098 . . . . 0.0 110.633 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -63.08 -30.91 71.96 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.551 0.74 . . . . 0.0 111.604 -174.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.408 ' HB3' ' HB2' ' A' ' 47' ' ' ASN . 36.7 mtmm -73.24 129.47 38.11 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 170.266 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -132.02 -49.36 0.94 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.856 0.862 . . . . 0.0 110.474 -176.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -97.65 8.69 44.2 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.09 0.556 . . . . 0.0 111.668 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.408 ' HB2' ' HB3' ' A' ' 44' ' ' LYS . 13.6 m120 -76.69 -43.03 39.37 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 175.657 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.665 HD11 HD13 ' A' ' 13' ' ' LEU . 3.0 tm? -74.33 -23.23 59.02 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.279 0.631 . . . . 0.0 110.16 177.346 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -59.19 -32.33 69.82 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.02 0.928 . . . . 0.0 111.616 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -64.49 -37.04 86.16 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.139 0.576 . . . . 0.0 111.358 176.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.558 HD13 ' HA ' ' A' ' 48' ' ' LEU . 2.1 mp -62.8 -31.65 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 C-N-CA 124.051 0.94 . . . . 0.0 110.12 -179.03 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -73.67 -37.03 65.4 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.455 176.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.545 ' HG3' HD23 ' A' ' 57' ' ' LEU . 25.1 tp60 -63.31 -40.68 97.99 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 173.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.728 ' HB3' ' HE2' ' A' ' 58' ' ' LYS . 87.7 mm-40 -63.57 -42.17 98.34 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.701 0.8 . . . . 0.0 110.629 176.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -53.12 -45.57 68.36 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.503 0.721 . . . . 0.0 110.909 174.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -69.19 -61.23 1.88 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.187 0.595 . . . . 0.0 111.262 -178.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.545 HD23 ' HG3' ' A' ' 53' ' ' GLN . 4.1 pp -64.81 -41.64 95.63 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 123.694 0.621 . . . . 0.0 112.193 -164.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.728 ' HE2' ' HB3' ' A' ' 54' ' ' GLN . 63.6 mttm -58.19 -59.96 4.5 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 123.783 0.677 . . . . 0.0 110.352 -174.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 70.5 mtm -70.53 -22.22 62.64 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.801 -174.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -77.13 -50.23 13.47 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.93 0.492 . . . . 0.0 110.855 -178.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -74.31 -37.9 63.49 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 122.999 0.52 . . . . 0.0 111.799 -173.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.03 -28.99 63.72 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.44 0.296 . . . . 0.0 110.417 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.405 ' HA ' ' HG2' ' A' ' 66' ' ' ARG . 44.2 ttp85 -71.09 -45.67 63.25 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.138 0.575 . . . . 0.0 109.894 176.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -61.82 -36.21 80.47 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.575 177.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.76 -49.83 55.51 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.506 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.405 ' HG2' ' HA ' ' A' ' 63' ' ' ARG . 6.5 ptm180 -73.21 -19.67 61.04 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.697 0.399 . . . . 0.0 111.79 -176.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.442 ' HA ' ' NE ' ' A' ' 67' ' ' ARG . 3.7 mmp_? -93.41 -5.32 49.66 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.925 0.49 . . . . 0.0 111.818 175.561 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.418 ' HG3' ' HE3' ' A' ' 70' ' ' LYS . 34.3 ttmt 66.49 35.9 5.32 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.053 0.941 . . . . 0.0 110.587 169.095 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -95.11 82.97 3.83 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.554 -178.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.418 ' HE3' ' HG3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -146.97 -172.46 4.0 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.343 178.143 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? . . . . . 0 C--O 1.25 1.107 0 C-N-CA 124.322 1.049 . . . . 0.0 108.237 -178.974 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 91.8 m95 . . . . . 0 N--CA 1.479 1.011 0 CA-C-O 120.807 0.337 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.39 146.57 29.27 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 174.525 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.426 ' HA ' ' HB2' ' A' ' 6' ' ' MET . 45.1 mt-10 -58.81 -19.15 38.59 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -170.252 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -71.3 -49.24 44.78 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.508 0.723 . . . . 0.0 111.207 175.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -73.61 -29.58 62.46 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.07 0.462 . . . . 0.0 110.219 177.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.426 ' HB2' ' HA ' ' A' ' 3' ' ' GLU . 80.9 mtp -71.72 -23.1 61.57 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.79 0.836 . . . . 0.0 110.594 172.244 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.95 -31.81 54.69 Favored Glycine 0 C--N 1.347 1.153 0 O-C-N 123.85 0.719 . . . . 0.0 111.787 172.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.6 m -68.02 -38.03 82.1 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.213 0.605 . . . . 0.0 109.774 171.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.37 -47.24 77.07 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.546 174.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -56.04 -43.44 77.84 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.75 1.22 . . . . 0.0 110.88 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -75.59 -29.29 59.23 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.705 -176.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.95 -46.18 68.27 Favored Glycine 0 C--N 1.343 0.964 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 172.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.577 HD22 ' HG2' ' A' ' 18' ' ' ARG . 30.1 mt -67.47 -26.34 66.33 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.427 1.091 . . . . 0.0 110.481 178.268 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 tt -72.86 -60.25 2.32 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 174.132 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -71.61 -61.81 1.64 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.014 0.926 . . . . 0.0 111.258 -168.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -81.29 -30.61 33.93 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.102 -175.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.58 -174.06 22.45 Favored Glycine 0 N--CA 1.466 0.641 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.144 -176.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.577 ' HG2' HD22 ' A' ' 13' ' ' LEU . 41.7 mtm180 -83.2 43.48 0.88 Allowed 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 121.19 0.519 . . . . 0.0 112.179 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -82.04 95.8 7.54 Favored 'General case' 0 C--N 1.344 0.366 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 173.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.476 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 55.5 m95 -52.36 -36.97 55.05 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.271 1.428 . . . . 0.0 112.261 -170.431 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.3 m -60.55 -51.19 70.5 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.504 1.122 . . . . 0.0 110.984 178.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.92 -42.73 89.74 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.681 -176.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.444 HG13 HD23 ' A' ' 13' ' ' LEU . 22.2 mm -77.71 -38.28 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.814 -170.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.33 -20.86 61.41 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.271 175.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -83.08 -26.41 31.11 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 122.391 0.276 . . . . 0.0 110.814 168.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.1 ttt -76.5 -62.02 1.76 Allowed 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.189 0.596 . . . . 0.0 111.469 -176.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.4 m -86.96 -36.74 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 122.85 0.46 . . . . 0.0 111.401 177.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.23 -44.96 7.75 Favored Glycine 0 C--N 1.343 0.932 0 CA-C-N 116.046 -0.525 . . . . 0.0 113.111 -175.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.8 p 50.16 32.32 5.88 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.984 1.314 . . . . 0.0 112.883 -175.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -149.67 -75.34 0.16 Allowed 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -176.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.428 HG22 ' H ' ' A' ' 33' ' ' SER . 41.9 m -124.83 135.33 52.83 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.145 0.578 . . . . 0.0 111.353 -169.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.8 t -67.65 -28.79 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 C-N-CA 124.023 0.929 . . . . 0.0 111.264 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.428 ' H ' HG22 ' A' ' 31' ' ' THR . 22.7 m -59.66 -21.84 61.07 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.791 0.837 . . . . 0.0 112.563 176.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -63.63 -51.98 62.8 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 122.955 0.502 . . . . 0.0 111.594 -176.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.476 ' SG ' ' HB3' ' A' ' 20' ' ' TRP . 29.6 p -65.46 -35.66 81.58 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.095 0.558 . . . . 0.0 110.672 -178.652 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -58.65 -58.8 6.99 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.039 0.936 . . . . 0.0 111.471 176.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -69.18 -30.2 68.35 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.454 -175.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -69.33 -36.65 77.14 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 122.715 0.406 . . . . 0.0 110.44 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.451 ' HE1' HD12 ' A' ' 48' ' ' LEU . 35.3 t80 -60.44 -43.93 96.32 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -167.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -80.47 8.31 7.99 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.297 0.639 . . . . 0.0 111.922 -174.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -150.74 34.42 0.61 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.059 0.944 . . . . 0.0 108.576 169.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -54.55 -70.18 0.11 Allowed 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.515 1.126 . . . . 0.0 110.647 -177.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.457 ' HE3' ' HB2' ' A' ' 46' ' ' GLN . 32.3 ttpt -178.24 96.39 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -63.14 -23.14 67.3 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.637 0.775 . . . . 0.0 111.702 -173.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -74.23 -28.45 61.25 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 123.48 0.712 . . . . 0.0 111.784 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.457 ' HB2' ' HE3' ' A' ' 43' ' ' LYS . 77.4 mt-30 -126.58 105.57 8.82 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.071 0.548 . . . . 0.0 109.729 -177.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -71.12 117.67 12.92 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.571 0.748 . . . . 0.0 111.303 -175.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.451 HD12 ' HE1' ' A' ' 39' ' ' TYR . 3.3 tm? -77.92 -28.61 49.71 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.583 1.153 . . . . 0.0 110.386 -178.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -61.5 -35.7 78.43 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.732 0.813 . . . . 0.0 111.845 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -64.87 -37.63 88.28 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 123.708 0.63 . . . . 0.0 110.344 178.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 48' ' ' LEU . 62.1 mt -65.41 -36.57 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 123.809 0.844 . . . . 0.0 110.61 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.427 HD23 HD13 ' A' ' 48' ' ' LEU . 3.8 mm? -68.18 -43.41 78.21 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.83 173.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -62.5 -42.27 99.39 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.833 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -63.28 -54.59 34.79 Favored 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 123.877 0.871 . . . . 0.0 110.596 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -55.14 -39.72 69.76 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.104 0.562 . . . . 0.0 111.546 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -62.54 -53.93 47.34 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.332 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.01 -28.33 62.3 Favored 'General case' 0 C--O 1.214 -0.791 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.662 -174.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.457 ' HA ' ' HE2' ' A' ' 61' ' ' LYS . 25.6 mtpp -67.92 -55.65 12.0 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.462 0.705 . . . . 0.0 111.18 -176.375 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -28.09 69.15 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.167 0.587 . . . . 0.0 111.954 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -82.24 -46.8 13.22 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.83 0.452 . . . . 0.0 111.647 -178.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.457 ' HE2' ' HA ' ' A' ' 58' ' ' LYS . 63.9 pttt -68.59 -37.7 80.06 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.022 0.529 . . . . 0.0 110.398 -174.173 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -71.22 -36.09 71.73 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -59.84 -45.54 92.1 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 124.276 0.985 . . . . 0.0 109.381 177.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.487 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 24.9 t-20 -59.67 -49.5 77.5 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.087 178.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.9 -32.29 73.94 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.648 0.779 . . . . 0.0 112.329 -177.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -95.06 -1.71 51.62 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.041 0.536 . . . . 0.0 111.609 -177.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -123.41 34.23 5.15 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.432 0.693 . . . . 0.0 110.863 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' ' 64' ' ' ASN . 61.1 mtpt -89.7 26.6 1.72 Allowed 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 123.442 0.697 . . . . 0.0 111.233 174.065 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.54 37.55 22.71 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.694 1.197 . . . . 0.0 110.215 -174.281 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -58.2 131.26 50.04 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.756 1.222 . . . . 0.0 109.773 176.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm . . . . . 0 C--O 1.252 1.217 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -176.18 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 96.9 m95 . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.7 m -86.18 166.33 15.83 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 171.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.45 ' HA ' ' HB2' ' A' ' 6' ' ' MET . 52.7 mt-10 -61.16 -20.0 62.21 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -169.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -65.82 -54.54 25.44 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 118.282 0.492 . . . . 0.0 110.57 175.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -75.92 -28.42 58.0 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.518 0.727 . . . . 0.0 110.964 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.45 ' HB2' ' HA ' ' A' ' 3' ' ' GLU . 15.0 mmt -55.19 -47.3 75.44 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 166.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.26 -37.03 86.08 Favored Glycine 0 C--N 1.347 1.165 0 CA-C-N 114.586 -1.188 . . . . 0.0 113.56 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.7 m -71.35 -38.13 71.64 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.181 0.593 . . . . 0.0 110.716 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.65 -35.21 60.48 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.078 0.551 . . . . 0.0 110.468 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -61.37 -42.14 98.22 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.72 0.808 . . . . 0.0 110.389 172.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -68.33 -36.49 79.35 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.069 -0.968 . . . . 0.0 109.872 177.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.99 -42.82 96.61 Favored Glycine 0 C--N 1.344 1.015 0 CA-C-N 116.169 -0.468 . . . . 0.0 112.75 177.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.9 mt -70.4 -25.38 63.21 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.962 0.905 . . . . 0.0 110.326 176.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.3 tp -76.28 -25.19 54.64 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 123.84 0.856 . . . . 0.0 111.766 173.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -106.17 -63.39 1.27 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.829 -0.545 . . . . 0.0 112.166 -177.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -73.42 -28.59 62.07 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.82 0.848 . . . . 0.0 110.896 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.18 -162.5 20.0 Favored Glycine 0 C--N 1.343 0.955 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.699 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.474 ' NE ' ' HG ' ' A' ' 52' ' ' LEU . 11.4 tpp180 -76.14 9.94 2.24 Favored 'General case' 0 CA--C 1.568 1.637 0 C-N-CA 123.992 0.917 . . . . 0.0 111.861 -174.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.484 ' O ' HG12 ' A' ' 23' ' ' ILE . 45.9 m-80 -66.31 94.67 0.27 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.89 0.876 . . . . 0.0 110.55 178.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -60.12 -31.79 70.39 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.804 0.841 . . . . 0.0 112.093 -174.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.2 t -68.23 -40.48 82.02 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.64 0.776 . . . . 0.0 110.873 177.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.9 -39.41 76.24 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.243 0.617 . . . . 0.0 111.069 -177.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.598 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 18.3 mm -74.73 -37.08 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.38 -179.09 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.3 -32.85 72.7 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.866 0.866 . . . . 0.0 111.646 175.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.3 ttt85 -77.45 -39.19 47.61 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.748 0.819 . . . . 0.0 110.32 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.5 ttt -69.43 -61.39 1.81 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.064 0.546 . . . . 0.0 111.741 -173.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' ' 23' ' ' ILE . 33.0 m -88.52 -40.94 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 122.799 0.439 . . . . 0.0 112.117 -177.197 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.05 -45.53 7.54 Favored Glycine 0 C--N 1.345 1.037 0 O-C-N 123.581 0.551 . . . . 0.0 112.744 -175.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.4 t 56.59 23.14 7.36 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 124.997 1.319 . . . . 0.0 111.54 -172.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -135.42 -77.66 0.44 Allowed 'General case' 0 C--N 1.361 1.073 0 C-N-CA 123.512 0.725 . . . . 0.0 111.485 -173.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.455 HG22 ' H ' ' A' ' 33' ' ' SER . 16.5 m -136.26 143.91 44.52 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.714 0.406 . . . . 0.0 110.92 -163.302 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.8 t -66.88 -33.39 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 123.676 0.79 . . . . 0.0 110.766 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.455 ' H ' HG22 ' A' ' 31' ' ' THR . 25.2 t -56.41 -38.24 71.26 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.081 0.952 . . . . 0.0 110.983 175.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -59.74 -43.85 94.07 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 124.008 0.923 . . . . 0.0 110.961 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.598 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 42.3 t -75.82 -28.75 58.4 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.222 0.609 . . . . 0.0 111.705 178.176 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -67.59 -52.8 34.27 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.065 0.546 . . . . 0.0 110.581 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -71.64 -21.19 61.86 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.424 0.689 . . . . 0.0 111.093 -177.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.422 ' HE1' ' HA ' ' A' ' 6' ' ' MET . 21.4 t80 -50.41 -47.46 56.54 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.675 0.79 . . . . 0.0 111.137 171.356 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -72.93 -31.59 64.72 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.382 -169.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -86.44 -19.35 29.76 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.405 0.682 . . . . 0.0 110.637 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -107.97 33.47 4.08 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.976 0.91 . . . . 0.0 109.718 172.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -73.13 -18.54 61.27 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 124.047 0.939 . . . . 0.0 110.467 177.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt 63.26 -86.81 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 126.216 1.806 . . . . 0.0 111.687 172.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.88 87.06 0.99 Allowed 'General case' 0 C--N 1.35 0.62 0 CA-C-O 121.554 0.692 . . . . 0.0 109.605 -177.349 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -130.96 178.05 6.97 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 114.51 -1.223 . . . . 0.0 108.618 172.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.7 pm0 -55.37 134.1 50.07 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.798 0.839 . . . . 0.0 110.673 170.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -61.38 108.04 0.87 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.065 0.546 . . . . 0.0 111.335 -173.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.424 HD13 ' O ' ' A' ' 48' ' ' LEU . 3.2 tm? -65.51 -32.11 73.54 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.372 0.669 . . . . 0.0 111.026 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -58.31 -43.85 88.35 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.798 0.439 . . . . 0.0 111.568 -173.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.473 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 32.7 tt0 -69.96 -40.63 75.3 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 123.51 0.506 . . . . 0.0 110.224 176.437 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 48' ' ' LEU . 96.5 mt -55.76 -33.56 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 C-N-CA 124.262 1.025 . . . . 0.0 111.316 177.367 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.474 ' HG ' ' NE ' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -70.46 -40.73 73.51 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.727 0.811 . . . . 0.0 109.466 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -64.51 -38.09 89.81 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.075 174.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 10.6 mm-40 -63.48 -46.63 85.29 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.269 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -53.62 -42.98 68.31 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.117 0.967 . . . . 0.0 111.365 176.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -62.62 -60.84 2.96 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.337 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.54 -29.14 67.64 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 123.643 0.589 . . . . 0.0 112.45 -171.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -62.49 -52.26 64.21 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.468 0.707 . . . . 0.0 110.61 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 50.4 ttm -74.84 -31.79 61.75 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.283 -178.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.92 -46.29 75.26 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.353 0.661 . . . . 0.0 111.571 -178.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -72.58 -37.74 68.08 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 122.824 0.45 . . . . 0.0 111.145 -176.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -68.58 -36.71 79.1 Favored 'General case' 0 C--O 1.21 -1.023 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.495 ' HA ' ' HG2' ' A' ' 66' ' ' ARG . 74.0 mtm180 -71.08 -32.44 69.08 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.404 0.681 . . . . 0.0 111.042 177.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -65.15 -34.36 78.2 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 122.821 0.448 . . . . 0.0 110.365 176.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.13 -52.23 6.8 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 123.692 0.797 . . . . 0.0 112.129 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.495 ' HG2' ' HA ' ' A' ' 63' ' ' ARG . 14.1 ptm180 -74.55 -26.33 59.89 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.9 0.88 . . . . 0.0 111.935 -168.419 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -97.51 -0.8 45.36 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.955 0.502 . . . . 0.0 111.099 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -85.55 69.57 10.67 Favored 'General case' 0 C--N 1.357 0.901 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 170.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -107.42 48.85 0.83 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.289 -1.323 . . . . 0.0 108.964 -177.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -109.57 115.28 29.62 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.162 -1.381 . . . . 0.0 108.263 177.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.437 ' HE3' ' N ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.554 1.101 0 CA-C-O 118.891 -0.576 . . . . 0.0 110.03 -177.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 84.3 m95 . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.1 m -91.67 157.88 16.7 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.574 0.75 . . . . 0.0 109.343 175.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -49.71 -21.37 1.05 Allowed 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 -173.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -75.66 -54.07 7.55 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.291 0.636 . . . . 0.0 110.954 -177.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -74.06 -29.18 61.76 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.388 0.675 . . . . 0.0 110.249 176.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 51.8 ttm -71.68 -28.88 64.02 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.361 1.064 . . . . 0.0 110.057 175.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.46 -30.16 62.79 Favored Glycine 0 C--N 1.352 1.428 0 O-C-N 123.568 0.543 . . . . 0.0 111.76 172.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.7 m -72.7 -31.72 65.22 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.341 0.656 . . . . 0.0 109.802 173.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.58 ' HA ' HG11 ' A' ' 27' ' ' VAL . . . -74.34 -37.76 63.45 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.73 0.812 . . . . 0.0 110.321 176.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.528 ' HG3' HD13 ' A' ' 51' ' ' ILE . 77.4 tttt -60.3 -54.66 43.08 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.317 1.047 . . . . 0.0 110.018 175.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -68.45 -28.33 66.96 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.642 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.02 -47.08 91.64 Favored Glycine 0 C--N 1.343 0.927 0 N-CA-C 112.148 -0.381 . . . . 0.0 112.148 175.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.564 HD22 ' HG2' ' A' ' 18' ' ' ARG . 90.2 mt -68.95 -29.06 67.22 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.684 0.793 . . . . 0.0 110.59 178.363 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 tt -70.01 -43.5 71.23 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.888 0.875 . . . . 0.0 109.941 174.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -77.94 -54.69 6.02 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.552 0.741 . . . . 0.0 110.773 -170.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -90.57 -8.45 50.18 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 115.091 -0.958 . . . . 0.0 112.11 -171.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 69.66 43.48 67.63 Favored Glycine 0 CA--C 1.537 1.467 0 O-C-N 123.098 0.249 . . . . 0.0 113.336 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.564 ' HG2' HD22 ' A' ' 13' ' ' LEU . 68.5 mtm180 59.85 24.38 13.4 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 124.62 1.168 . . . . 0.0 113.633 178.664 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.476 ' O ' HG12 ' A' ' 23' ' ' ILE . 35.2 t30 -69.99 92.91 0.75 Allowed 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 169.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -59.71 -26.97 66.05 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.898 0.879 . . . . 0.0 112.668 -166.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.6 m -59.97 -46.72 88.51 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.514 0.725 . . . . 0.0 110.506 174.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.98 -38.3 66.73 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.799 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 19' ' ' ASN . 22.5 mm -70.44 -52.69 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 122.853 0.461 . . . . 0.0 110.096 -174.219 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.83 -22.05 66.52 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.281 0.632 . . . . 0.0 111.701 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -79.78 -38.6 32.79 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.085 0.554 . . . . 0.0 109.544 174.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.0 ttt -74.96 -62.29 1.59 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.874 0.869 . . . . 0.0 111.266 -175.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.58 HG11 ' HA ' ' A' ' 9' ' ' ALA . 6.2 m -89.72 -35.4 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.018 0.927 . . . . 0.0 112.554 -174.224 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.82 -40.18 9.77 Favored Glycine 0 C--N 1.345 1.057 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.866 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.1 t 60.79 31.89 20.11 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 124.952 1.301 . . . . 0.0 110.914 -171.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.421 ' HG3' ' H ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -151.9 -177.04 5.9 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.866 0.866 . . . . 0.0 109.515 -174.061 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.421 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 87.7 m -50.3 153.73 1.43 Allowed 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 125.252 1.421 . . . . 0.0 113.031 174.071 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.3 t -44.81 -39.0 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 125.286 1.434 . . . . 0.0 112.726 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.3 m -49.78 -37.85 31.65 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.848 1.259 . . . . 0.0 113.545 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -56.93 -51.3 69.68 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.382 0.673 . . . . 0.0 111.876 -177.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 48.9 t -83.26 -32.35 26.47 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 122.798 0.439 . . . . 0.0 111.622 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -50.24 70.24 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.631 0.772 . . . . 0.0 109.341 -173.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -60.95 -47.78 84.85 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 123.756 0.66 . . . . 0.0 110.559 176.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -49.3 -39.07 29.66 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 124.425 1.078 . . . . 0.0 111.88 -176.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -53.23 -35.81 60.36 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.688 1.195 . . . . 0.0 112.959 -172.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -123.23 1.21 9.09 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.693 0.797 . . . . 0.0 111.434 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -75.24 -55.93 5.22 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.572 0.749 . . . . 0.0 110.314 -178.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -82.5 148.05 28.33 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.619 -175.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.2 tppm? -64.26 95.14 0.12 Allowed 'General case' 0 C--N 1.356 0.878 0 C-N-CA 123.387 0.675 . . . . 0.0 109.61 174.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -156.01 104.57 2.29 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 114.771 -1.104 . . . . 0.0 108.327 -178.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -65.62 165.4 12.48 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 123.639 0.776 . . . . 0.0 111.121 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -83.97 52.92 2.42 Favored 'General case' 0 CA--C 1.556 1.182 0 CA-C-O 121.525 0.679 . . . . 0.0 112.375 -167.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -68.41 -21.18 64.69 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.996 0.918 . . . . 0.0 109.335 163.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.464 HD13 HD23 ' A' ' 52' ' ' LEU . 2.9 tm? -60.07 -27.57 67.08 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.08 1.352 . . . . 0.0 110.818 177.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.11 -46.07 79.24 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.512 0.725 . . . . 0.0 110.815 173.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.535 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 31.8 tt0 -70.51 -30.31 67.05 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.827 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.528 HD13 ' HG3' ' A' ' 10' ' ' LYS . 82.9 mt -64.76 -31.51 54.08 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.137 0 C-N-CA 123.705 0.802 . . . . 0.0 110.42 177.013 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.464 HD23 HD13 ' A' ' 48' ' ' LEU . 4.3 mm? -79.84 -26.63 40.36 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.402 0.681 . . . . 0.0 111.45 174.115 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.468 ' HG3' HD23 ' A' ' 57' ' ' LEU . 22.6 tp60 -65.82 -35.22 80.07 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 168.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 14.4 mm100 -67.5 -37.05 82.24 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.012 0.525 . . . . 0.0 110.387 176.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -57.3 -36.68 71.39 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.59 0.756 . . . . 0.0 111.218 174.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -71.46 -62.26 1.47 Allowed 'General case' 0 C--O 1.242 0.658 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.311 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.468 HD23 ' HG3' ' A' ' 53' ' ' GLN . 3.7 pp -74.31 -41.57 60.93 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.941 -161.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -63.17 -24.22 67.79 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 123.216 0.606 . . . . 0.0 112.591 -175.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 45.7 ttm -83.01 -48.03 11.07 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.198 0.599 . . . . 0.0 110.592 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -83.17 -22.04 33.36 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.848 0.859 . . . . 0.0 112.705 -172.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -71.07 -50.47 33.48 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.639 0.776 . . . . 0.0 109.941 -176.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -66.55 -33.53 75.87 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.468 174.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -68.09 -39.28 82.93 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.086 0.954 . . . . 0.0 110.519 -177.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -70.71 -37.08 73.53 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.31 0.644 . . . . 0.0 109.827 176.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.13 -39.84 82.63 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.736 0.814 . . . . 0.0 111.985 -179.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -83.72 -29.64 27.35 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 122.86 0.464 . . . . 0.0 112.0 -172.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -90.07 17.28 7.1 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 122.979 0.511 . . . . 0.0 111.784 -177.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -72.46 88.67 1.22 Allowed 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.646 0.736 . . . . 0.0 110.804 175.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -146.73 39.55 1.05 Allowed 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 171.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -116.97 123.59 47.29 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 114.501 -1.227 . . . . 0.0 109.91 -174.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp . . . . . 0 C--O 1.252 1.237 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 174.194 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 17.4 m95 . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.2 m -67.44 146.58 53.86 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.295 0.638 . . . . 0.0 109.693 175.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.482 ' HA ' ' HB2' ' A' ' 6' ' ' MET . 46.4 mt-10 -54.96 -20.2 8.49 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -175.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -67.25 -54.06 24.35 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.619 0.768 . . . . 0.0 110.766 175.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -73.73 -27.49 61.21 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.315 0.646 . . . . 0.0 110.944 178.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.482 ' HB2' ' HA ' ' A' ' 3' ' ' GLU . 0.6 OUTLIER -64.87 -33.77 76.81 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.268 0.627 . . . . 0.0 109.968 170.072 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.4 -30.33 62.64 Favored Glycine 0 C--N 1.352 1.424 0 O-C-N 123.631 0.582 . . . . 0.0 112.364 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.5 m -76.76 -30.44 56.55 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.555 0.742 . . . . 0.0 109.98 174.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.05 -30.84 50.0 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.675 0.79 . . . . 0.0 110.233 175.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -67.19 -45.96 75.36 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 173.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -62.32 -42.62 99.53 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.112 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.9 -55.74 22.72 Favored Glycine 0 C--N 1.343 0.963 0 O-C-N 123.535 0.522 . . . . 0.0 112.6 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.5 mt -64.86 -24.15 67.45 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.861 0.864 . . . . 0.0 111.86 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 tt -73.89 -59.15 2.85 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 172.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -69.44 -60.88 2.04 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.702 0.801 . . . . 0.0 112.2 -170.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -80.11 -12.82 59.63 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.596 0.758 . . . . 0.0 111.406 -176.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.36 -149.15 33.45 Favored Glycine 0 C--N 1.343 0.964 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 -175.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -94.64 22.17 6.56 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.157 0.583 . . . . 0.0 111.304 -176.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.477 ' O ' HG12 ' A' ' 23' ' ' ILE . 28.3 t-20 -72.9 95.38 1.95 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 175.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.411 ' HE3' ' HG ' ' A' ' 35' ' ' CYS . 28.0 m95 -57.78 -27.86 63.45 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.956 0.902 . . . . 0.0 112.229 -171.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.472 ' HA ' HG22 ' A' ' 32' ' ' VAL . 19.2 m -64.53 -49.17 72.3 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.594 0.757 . . . . 0.0 111.03 177.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.06 -41.86 85.72 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.944 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 19' ' ' ASN . 18.7 mm -67.72 -49.22 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.646 -177.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 31' ' ' THR . . . -68.67 -19.42 64.39 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.526 0.731 . . . . 0.0 112.53 -178.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -83.22 -31.93 26.77 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 122.91 0.484 . . . . 0.0 110.724 171.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.0 ttt -77.95 -62.35 1.7 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.678 0.791 . . . . 0.0 111.426 -177.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 23' ' ' ILE . 25.6 m -87.67 -40.27 13.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 C-N-CA 123.887 0.875 . . . . 0.0 112.1 -177.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.33 -39.26 12.86 Favored Glycine 0 C--N 1.352 1.462 0 CA-C-N 116.336 -0.393 . . . . 0.0 112.585 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.3 t 62.83 27.0 15.86 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 125.62 1.568 . . . . 0.0 112.778 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.9 -74.28 0.17 Allowed 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -177.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.418 ' O ' ' HB1' ' A' ' 24' ' ' ALA . 97.6 m -129.31 137.94 51.31 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.486 0.714 . . . . 0.0 111.57 -165.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.472 HG22 ' HA ' ' A' ' 21' ' ' SER . 51.6 t -60.78 -36.07 68.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 C-N-CA 124.332 1.053 . . . . 0.0 111.404 -177.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 63.0 m -60.61 -23.93 65.1 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.992 0.917 . . . . 0.0 112.53 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -61.12 -53.1 61.25 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 118.189 0.449 . . . . 0.0 110.611 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.411 ' HG ' ' HE3' ' A' ' 20' ' ' TRP . 52.8 t -72.16 -27.74 62.78 Favored 'General case' 0 N--CA 1.484 1.247 0 O-C-N 123.659 0.6 . . . . 0.0 111.267 -177.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.75 -51.01 54.16 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -72.99 -34.98 66.77 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.596 0.758 . . . . 0.0 110.404 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -51.16 -37.78 48.33 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 124.969 1.308 . . . . 0.0 111.04 170.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -72.2 -17.19 61.94 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.809 -175.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 . . . . . 0 N--CA 1.482 1.168 0 C-N-CA 123.52 0.728 . . . . 0.0 111.329 176.258 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tm? . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 120.447 0.165 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.42 -43.33 96.86 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.316 0.646 . . . . 0.0 110.469 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -69.88 -37.17 75.96 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.825 -1.079 . . . . 0.0 110.947 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 86.0 mt -57.14 -43.88 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 C-N-CA 123.227 0.611 . . . . 0.0 110.563 177.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.41 -36.66 60.78 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.016 -178.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -68.93 -41.81 77.59 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 123.311 0.382 . . . . 0.0 110.249 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -65.29 -42.95 92.59 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.315 175.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -55.47 -39.23 70.12 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.093 0.557 . . . . 0.0 110.846 174.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -64.38 -61.96 1.9 Allowed 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.375 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 pp -71.44 -34.89 70.69 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -167.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.451 ' HA ' ' HE2' ' A' ' 61' ' ' LYS . 95.1 mttt -62.83 -51.75 65.83 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 123.143 0.577 . . . . 0.0 110.939 -177.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 48.8 tpp -69.46 -41.6 76.01 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.527 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -65.07 -44.76 87.87 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.785 0.834 . . . . 0.0 111.795 -172.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.451 ' HE2' ' HA ' ' A' ' 58' ' ' LYS . 63.3 pttt -65.51 -45.08 84.94 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 123.689 0.618 . . . . 0.0 111.014 -174.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -77.04 -27.57 54.51 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.991 0.516 . . . . 0.0 110.457 -176.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -66.32 -37.57 85.68 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.846 0.858 . . . . 0.0 110.04 177.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.474 0.748 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.289 177.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 76.0 m95 . . . . . 0 N--CA 1.472 0.656 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.6 m -74.8 155.43 37.6 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.197 0.999 . . . . 0.0 109.891 173.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -53.9 -22.81 10.83 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -178.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -72.86 -55.76 6.19 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 122.708 0.403 . . . . 0.0 110.33 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -71.78 -30.08 65.17 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.197 0.599 . . . . 0.0 110.961 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 28.3 ttm -71.98 -39.97 68.93 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.57 0.748 . . . . 0.0 110.037 177.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.08 -31.24 69.4 Favored Glycine 0 C--N 1.346 1.127 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.738 176.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.0 m -75.55 -32.21 60.34 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.759 0.824 . . . . 0.0 110.268 175.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.25 -50.68 59.63 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.552 0.741 . . . . 0.0 109.369 175.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -56.53 -45.03 81.34 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.122 1.369 . . . . 0.0 110.422 176.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -62.4 -39.75 94.28 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.87 0.868 . . . . 0.0 110.191 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.0 -36.83 86.89 Favored Glycine 0 C--N 1.344 0.991 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.869 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.557 HD13 HD11 ' A' ' 48' ' ' LEU . 18.6 mt -72.36 -34.47 68.02 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.916 0.886 . . . . 0.0 110.169 177.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.1 tp -74.86 -23.45 58.41 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.344 1.058 . . . . 0.0 110.826 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -106.94 -63.78 1.25 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.07 0.548 . . . . 0.0 111.305 -174.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -74.59 -48.75 24.78 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.702 0.801 . . . . 0.0 110.323 -176.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.4 -161.89 21.46 Favored Glycine 0 C--N 1.343 0.945 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.321 -177.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -84.59 9.15 14.44 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.753 1.221 . . . . 0.0 111.525 -172.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.447 ' O ' HG12 ' A' ' 23' ' ' ILE . 86.1 m-20 -66.74 94.43 0.3 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.929 0.892 . . . . 0.0 109.519 177.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.493 ' HE3' ' SG ' ' A' ' 35' ' ' CYS . 50.5 m95 -61.17 -21.75 64.09 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.615 0.766 . . . . 0.0 111.876 -174.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.409 ' HA ' HG22 ' A' ' 32' ' ' VAL . 23.5 t -71.31 -43.3 67.34 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.926 0.89 . . . . 0.0 110.281 178.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.23 -41.7 94.14 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.39 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.591 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 18.1 mm -71.82 -40.59 69.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.05 -177.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.29 -38.47 91.29 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.383 0.673 . . . . 0.0 111.352 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.407 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 63.9 ttt180 -77.4 -30.9 53.78 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.622 176.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.0 ttt -66.9 -58.1 5.66 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.95 0.5 . . . . 0.0 111.003 -177.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 23' ' ' ILE . 35.0 m -87.5 -48.71 15.15 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -177.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.25 -37.92 11.78 Favored Glycine 0 C--N 1.343 0.941 0 O-C-N 123.441 0.463 . . . . 0.0 113.355 -176.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 25' ' ' ARG . 10.3 t 60.4 30.45 19.81 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.052 1.341 . . . . 0.0 109.861 -164.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.479 ' HG2' ' H ' ' A' ' 31' ' ' THR . 38.2 ttmt -130.69 176.51 8.13 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.315 1.046 . . . . 0.0 109.492 -172.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.479 ' H ' ' HG2' ' A' ' 30' ' ' LYS . 18.2 m -49.07 151.31 1.34 Allowed 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 125.364 1.466 . . . . 0.0 113.297 178.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.409 HG22 ' HA ' ' A' ' 21' ' ' SER . 52.1 t -51.0 -29.49 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 C-N-CA 124.909 1.284 . . . . 0.0 112.222 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.7 m -47.64 -40.68 20.3 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.21 1.404 . . . . 0.0 112.859 178.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -65.39 -44.33 87.87 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 122.571 0.348 . . . . 0.0 111.8 -175.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.591 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 53.8 t -79.13 -36.0 41.23 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.757 0.423 . . . . 0.0 111.508 -177.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -60.45 -51.7 68.35 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.091 0.556 . . . . 0.0 109.607 174.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -40.41 89.36 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.516 178.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -47.0 -38.33 10.61 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 124.258 1.023 . . . . 0.0 111.977 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -55.96 -47.01 78.41 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 124.773 1.296 . . . . 0.0 110.813 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 46.2 p90 . . . . . 0 N--CA 1.481 1.109 0 C-N-CA 123.673 0.789 . . . . 0.0 112.519 -177.602 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.557 HD11 HD13 ' A' ' 13' ' ' LEU . 3.0 tm? . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.416 0.15 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -55.69 -34.1 64.74 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.358 0.663 . . . . 0.0 111.451 175.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -60.82 -33.7 73.42 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.383 0.673 . . . . 0.0 112.197 -175.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.1 mp -64.28 -39.31 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.407 HD21 HD22 ' A' ' 13' ' ' LEU . 3.7 mm? -79.41 -28.38 41.8 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.987 0.915 . . . . 0.0 111.568 177.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -71.11 -43.97 66.6 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.947 0.899 . . . . 0.0 109.469 -176.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -69.65 -41.24 75.81 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.898 0.879 . . . . 0.0 109.903 175.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -57.74 -31.83 66.84 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.622 0.769 . . . . 0.0 111.085 175.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -78.94 -61.84 1.89 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.637 0.775 . . . . 0.0 111.24 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 pp -66.92 -35.95 81.14 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.16 0.584 . . . . 0.0 112.276 -167.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -67.68 -39.72 84.47 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.187 0.595 . . . . 0.0 111.004 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 46.5 tpp -68.57 -41.16 80.1 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.974 -176.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -74.62 -38.42 62.57 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.486 0.715 . . . . 0.0 112.153 -175.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -70.53 -40.69 73.29 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 111.399 0.148 . . . . 0.0 111.399 -175.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -71.33 -32.11 68.19 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.502 0.321 . . . . 0.0 110.152 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -59.4 -48.36 81.92 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.211 1.004 . . . . 0.0 110.342 -177.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 60.6 t30 . . . . . 0 CA--C 1.543 0.689 0 O-C-N 123.687 0.617 . . . . 0.0 110.391 176.854 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 49.1 m95 . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.587 0.232 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.4 m -73.31 150.15 42.11 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.734 0.814 . . . . 0.0 109.894 174.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -57.4 -21.87 39.15 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.561 0.745 . . . . 0.0 112.52 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -70.07 -53.29 18.1 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.722 0.809 . . . . 0.0 111.054 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -69.79 -28.85 66.08 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.056 0.542 . . . . 0.0 110.819 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 89.3 mtp -73.51 -22.9 59.99 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.221 0.608 . . . . 0.0 111.139 174.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.6 -37.12 62.06 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 168.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.5 m -70.13 -32.58 70.65 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.61 0.764 . . . . 0.0 110.621 173.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.433 ' HA ' HG11 ' A' ' 27' ' ' VAL . . . -71.21 -45.54 63.15 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.409 0.684 . . . . 0.0 109.741 177.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 4.8 tmtm? -55.91 -42.82 76.64 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.052 174.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.85 -44.61 80.58 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.182 0.993 . . . . 0.0 111.214 178.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.84 -44.45 91.99 Favored Glycine 0 C--N 1.342 0.888 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.489 -177.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.7 mt -71.73 -22.86 61.56 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.363 1.065 . . . . 0.0 110.54 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 10' ' ' LYS . 4.2 tt -75.7 -32.03 59.93 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.928 0.891 . . . . 0.0 110.822 171.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -97.14 -63.3 1.15 Allowed 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 120.869 0.366 . . . . 0.0 111.979 -174.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.403 ' HB2' HD11 ' A' ' 23' ' ' ILE . 36.5 m-70 -78.35 -24.51 46.44 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.742 0.817 . . . . 0.0 111.061 -178.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.4 -162.31 31.9 Favored Glycine 0 C--N 1.344 0.991 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.879 -173.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 -80.55 22.67 0.56 Allowed 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 117.891 0.846 . . . . 0.0 112.094 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.458 ' O ' HG12 ' A' ' 23' ' ' ILE . 42.2 t30 -69.63 92.38 0.65 Allowed 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 175.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 35.8 m95 -60.61 -24.24 65.34 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.762 0.825 . . . . 0.0 112.318 -171.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.485 ' HA ' HG22 ' A' ' 32' ' ' VAL . 23.6 t -61.26 -53.98 49.94 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 123.545 0.528 . . . . 0.0 109.813 173.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.47 -41.34 89.16 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.264 0.626 . . . . 0.0 112.032 -176.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 19' ' ' ASN . 23.1 mm -74.68 -37.18 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.608 -173.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.45 -20.62 62.07 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 21' ' ' SER . 75.2 mtp180 -78.48 -37.51 43.19 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 169.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.2 ttt -76.84 -63.85 1.26 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.434 0.694 . . . . 0.0 111.949 -173.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.433 HG11 ' HA ' ' A' ' 9' ' ' ALA . 18.8 m -87.25 -39.44 13.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 123.258 0.623 . . . . 0.0 111.445 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.94 -41.31 33.22 Favored Glycine 0 C--N 1.348 1.248 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.67 -174.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.0 t 60.09 26.6 15.97 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.426 1.09 . . . . 0.0 111.415 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.538 ' HD2' HE21 ' A' ' 34' ' ' GLN . 24.8 ttmm -143.38 -91.27 0.12 Allowed 'General case' 0 CA--C 1.555 1.164 0 O-C-N 122.192 -0.317 . . . . 0.0 111.486 -171.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 84.9 m -138.69 149.66 45.35 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.521 0.728 . . . . 0.0 110.35 -168.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.485 HG22 ' HA ' ' A' ' 21' ' ' SER . 53.7 t -52.08 -36.41 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 C-N-CA 124.622 1.169 . . . . 0.0 111.863 -177.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.6 t -61.46 -27.54 68.64 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.318 1.047 . . . . 0.0 112.654 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.538 HE21 ' HD2' ' A' ' 30' ' ' LYS . 5.9 tp-100 -62.14 -50.31 72.4 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.535 0.734 . . . . 0.0 111.379 -175.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.2 t -82.14 -26.42 33.52 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.367 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.05 -56.72 17.72 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 175.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -63.47 -29.63 70.88 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.176 0.991 . . . . 0.0 111.715 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -57.19 -39.02 74.52 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.453 0.701 . . . . 0.0 110.992 174.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -68.27 -17.95 64.41 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 121.074 0.464 . . . . 0.0 111.216 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 . . . . . 0 CA--C 1.548 0.876 0 C-N-CA 123.994 0.918 . . . . 0.0 110.567 177.568 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.455 ' HA ' HD13 ' A' ' 51' ' ' ILE . 2.4 tm? . . . . . 0 CA--C 1.547 0.837 0 CA-C-O 120.974 0.416 . . . . 0.0 111.485 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -59.17 -36.9 76.12 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 123.943 0.897 . . . . 0.0 111.575 175.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -71.67 -35.63 70.38 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.044 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.455 HD13 ' HA ' ' A' ' 48' ' ' LEU . 1.8 mp -59.52 -39.17 78.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 C-N-CA 123.046 0.539 . . . . 0.0 110.129 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.57 -34.33 69.87 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.47 0.708 . . . . 0.0 111.72 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.457 ' HG3' HD23 ' A' ' 57' ' ' LEU . 23.7 tp60 -62.77 -44.1 97.08 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.042 0.537 . . . . 0.0 110.213 174.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -67.29 -38.88 85.76 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.606 0.762 . . . . 0.0 110.648 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -57.09 -39.42 74.98 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.898 0.879 . . . . 0.0 110.918 176.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -75.63 -59.79 2.6 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.331 178.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.469 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 4.3 pp -64.68 -35.74 82.03 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.836 0.454 . . . . 0.0 111.893 -164.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -69.59 -47.13 64.57 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.179 0.592 . . . . 0.0 111.304 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 39.7 tpp -62.24 -48.11 81.43 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.961 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -71.06 -35.66 72.0 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.242 -176.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 57' ' ' LEU . 26.2 ttpp -54.91 -57.8 10.19 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.511 1.124 . . . . 0.0 111.311 -179.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -73.03 -32.96 65.43 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.725 -176.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -71.04 -38.44 72.55 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.84 0.456 . . . . 0.0 111.18 -176.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 . . . . . 0 N--CA 1.479 0.994 0 C-N-CA 123.35 0.66 . . . . 0.0 109.866 177.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 92.2 m95 . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.496 HG22 ' H ' ' A' ' 4' ' ' GLU . 99.2 m -66.41 146.09 54.95 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.574 1.15 . . . . 0.0 109.534 170.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.73 -22.97 65.83 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 118.257 0.48 . . . . 0.0 112.095 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.496 ' H ' HG22 ' A' ' 2' ' ' THR . 35.4 mt-10 -66.93 -55.2 15.61 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.019 0.928 . . . . 0.0 111.284 175.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -71.13 -29.39 65.19 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.404 0.682 . . . . 0.0 111.023 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 32.5 ttm -64.22 -37.7 88.41 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.118 1.367 . . . . 0.0 110.14 173.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.96 -32.51 60.75 Favored Glycine 0 C--N 1.346 1.104 0 O-C-N 124.021 0.826 . . . . 0.0 112.635 174.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.408 HG22 HG12 ' A' ' 27' ' ' VAL . 19.6 m -70.38 -33.02 70.91 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.253 0.621 . . . . 0.0 110.199 175.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.44 ' HB2' HG21 ' A' ' 27' ' ' VAL . . . -76.71 -35.84 57.59 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.512 0.725 . . . . 0.0 110.376 176.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.464 ' HG2' HD13 ' A' ' 51' ' ' ILE . 1.6 tmtp? -59.8 -49.06 79.17 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.659 173.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -69.19 -36.85 77.75 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.318 1.047 . . . . 0.0 110.668 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.68 -53.72 39.16 Favored Glycine 0 C--N 1.341 0.825 0 O-C-N 123.36 0.413 . . . . 0.0 112.119 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.549 ' HG ' HG21 ' A' ' 23' ' ' ILE . 24.0 mt -61.27 -40.07 92.74 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.89 0.876 . . . . 0.0 110.172 174.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.561 HD12 ' HB2' ' A' ' 55' ' ' HIS . 58.2 tp -61.14 -33.92 74.17 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 123.924 0.89 . . . . 0.0 111.536 177.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -83.89 -56.14 3.85 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 121.213 0.53 . . . . 0.0 111.353 -174.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -90.6 -28.5 18.39 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.726 0.81 . . . . 0.0 112.046 -169.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 111.24 -177.26 19.0 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 -169.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.47 ' NH2' ' HA ' ' A' ' 49' ' ' ASP . 93.6 mtt180 -82.05 56.8 3.27 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-N 117.673 0.737 . . . . 0.0 111.181 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -85.09 96.36 9.41 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.297 1.039 . . . . 0.0 108.692 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -55.36 -47.59 75.53 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.812 0.845 . . . . 0.0 111.993 -172.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.7 t -69.21 -39.54 78.53 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.16 0.584 . . . . 0.0 111.553 -177.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.29 -41.57 56.75 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.913 -171.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.549 HG21 ' HG ' ' A' ' 13' ' ' LEU . 38.2 mm -80.23 -31.57 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 122.964 0.506 . . . . 0.0 110.578 -176.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.502 ' HB1' ' O ' ' A' ' 31' ' ' THR . . . -71.9 -21.72 61.59 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.033 173.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -81.9 -28.45 32.88 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.687 0.795 . . . . 0.0 110.79 169.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.8 ttt -76.72 -65.4 0.94 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.617 0.367 . . . . 0.0 111.326 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.44 HG21 ' HB2' ' A' ' 9' ' ' ALA . 20.4 m -88.86 -41.5 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 123.307 0.643 . . . . 0.0 111.639 -174.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.72 -35.14 55.46 Favored Glycine 0 C--N 1.346 1.138 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.816 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.3 t 68.37 3.3 3.68 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.872 1.269 . . . . 0.0 112.948 173.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -122.4 -79.64 0.61 Allowed 'General case' 0 N--CA 1.481 1.115 0 O-C-N 121.782 -0.573 . . . . 0.0 111.603 -171.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.502 ' O ' ' HB1' ' A' ' 24' ' ' ALA . 17.4 m -138.04 165.8 25.69 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.971 0.508 . . . . 0.0 110.242 -172.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.6 t -51.23 -31.72 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 C-N-CA 125.222 1.409 . . . . 0.0 112.673 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.6 p -54.38 -33.93 60.18 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.043 1.337 . . . . 0.0 113.766 -175.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.4 mp0 -59.66 -50.53 73.52 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -175.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.411 ' H ' ' HB2' ' A' ' 24' ' ' ALA . 51.5 t -72.58 -28.95 63.11 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.541 0.336 . . . . 0.0 110.672 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -65.0 -53.91 38.75 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.442 0.697 . . . . 0.0 111.483 177.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -71.19 -24.9 62.31 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 122.456 0.302 . . . . 0.0 111.346 -177.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -63.8 -38.4 90.98 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-O 121.147 0.499 . . . . 0.0 110.625 173.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -80.09 -49.92 11.07 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.632 0.773 . . . . 0.0 111.959 -175.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 . . . . . 0 N--CA 1.486 1.364 0 C-N-CA 123.556 0.742 . . . . 0.0 112.055 -169.479 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.6 tm? . . . . . 0 CA--C 1.547 0.85 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.47 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 36.3 t70 -63.29 -47.91 80.31 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 123.31 0.381 . . . . 0.0 111.918 -175.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.534 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 12.6 pt-20 -68.89 -33.76 74.3 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 122.797 0.439 . . . . 0.0 111.049 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.464 HD13 ' HG2' ' A' ' 10' ' ' LYS . 86.1 mt -61.64 -45.56 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 124.024 0.93 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.468 HD11 ' O ' ' A' ' 13' ' ' LEU . 3.9 mm? -78.0 -25.27 47.92 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.855 179.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -65.31 -40.18 93.42 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 175.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 70.0 mm-40 -65.94 -52.07 52.98 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.166 175.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.561 ' HB2' HD12 ' A' ' 14' ' ' LEU . 86.4 t60 -53.41 -40.24 64.95 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 123.507 0.723 . . . . 0.0 111.435 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -60.6 -59.3 5.6 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.605 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 pp -67.11 -30.06 69.97 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 123.503 0.502 . . . . 0.0 111.323 -175.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.442 ' HE2' ' HB3' ' A' ' 54' ' ' GLN . 67.4 mttm -64.73 -58.87 5.08 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.513 0.725 . . . . 0.0 111.205 -178.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.0 tpp -64.71 -39.52 93.78 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 123.407 0.442 . . . . 0.0 111.297 -174.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -67.21 -37.33 83.44 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 119.38 -0.343 . . . . 0.0 111.66 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -41.93 44.45 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 117.928 0.331 . . . . 0.0 111.194 -177.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.53 -34.37 72.21 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 123.14 0.275 . . . . 0.0 110.359 -177.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -53.69 41.9 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.396 0.678 . . . . 0.0 110.007 173.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 . . . . . 0 N--CA 1.489 1.482 0 C-N-CA 124.466 1.106 . . . . 0.0 111.072 -178.945 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 78.3 m95 . . . . . 0 N--CA 1.471 0.598 0 CA-C-O 121.253 0.549 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.6 m -78.17 160.7 27.85 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.19 0.996 . . . . 0.0 109.751 173.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.514 ' HA ' ' HB3' ' A' ' 6' ' ' MET . 37.5 mt-10 -54.25 -18.21 3.68 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.463 1.105 . . . . 0.0 113.869 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -66.77 -57.38 7.2 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.258 0.623 . . . . 0.0 111.353 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.6 pm0 -77.66 -30.37 52.03 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.176 0.59 . . . . 0.0 110.29 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.514 ' HB3' ' HA ' ' A' ' 3' ' ' GLU . 49.9 ttm -66.41 -34.75 78.65 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.921 0.888 . . . . 0.0 110.541 174.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.04 -35.71 53.14 Favored Glycine 0 C--N 1.349 1.282 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.989 175.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.408 HG22 HG12 ' A' ' 27' ' ' VAL . 20.0 m -72.13 -28.54 63.33 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.118 0.567 . . . . 0.0 110.176 174.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.01 -39.97 60.84 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.844 0.858 . . . . 0.0 109.897 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.59 -47.42 86.31 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.426 1.09 . . . . 0.0 109.803 174.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 58.0 tptt -61.33 -45.3 95.0 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 114.594 -1.184 . . . . 0.0 110.133 177.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -61.02 -48.29 86.99 Favored Glycine 0 C--N 1.349 1.251 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.617 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.421 HD22 ' HD2' ' A' ' 18' ' ' ARG . 29.5 mt -57.98 -38.16 75.55 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.201 1.0 . . . . 0.0 110.496 178.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.67 -57.27 12.65 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.218 0.607 . . . . 0.0 109.42 175.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 11' ' ' LYS . 37.4 mm-40 -63.32 -46.63 85.76 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.311 0.645 . . . . 0.0 111.942 -172.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -90.68 -12.84 35.54 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.9 0.88 . . . . 0.0 112.106 -172.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.71 57.72 4.06 Favored Glycine 0 CA--C 1.532 1.137 0 CA-C-O 120.083 -0.287 . . . . 0.0 112.899 173.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.421 ' HD2' HD22 ' A' ' 13' ' ' LEU . 4.9 tpt180 70.35 7.72 6.33 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 124.729 1.211 . . . . 0.0 112.555 171.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.505 ' O ' HG12 ' A' ' 23' ' ' ILE . 24.4 t-20 -75.4 94.76 3.12 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.172 0.589 . . . . 0.0 109.971 -175.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.705 ' HE3' ' HG ' ' A' ' 35' ' ' CYS . 66.1 m95 -53.38 -35.32 60.19 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.938 1.295 . . . . 0.0 113.039 -172.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.458 ' HA ' HG22 ' A' ' 32' ' ' VAL . 17.3 m -65.64 -43.79 88.38 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 124.052 0.845 . . . . 0.0 110.912 -178.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.48 -37.12 82.4 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.672 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.541 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 7.5 mm -74.06 -46.47 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 122.779 0.432 . . . . 0.0 110.301 -173.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.51 -26.76 68.86 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.321 0.648 . . . . 0.0 111.072 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -80.22 -36.48 34.71 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.8 0.84 . . . . 0.0 110.559 174.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.4 ttt -73.94 -60.67 2.15 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.662 0.785 . . . . 0.0 111.532 -174.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.408 HG12 HG22 ' A' ' 8' ' ' THR . 15.8 m -87.06 -38.38 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.441 0.696 . . . . 0.0 111.834 -175.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.08 -45.97 5.76 Favored Glycine 0 C--N 1.346 1.114 0 CA-C-N 116.381 -0.372 . . . . 0.0 113.4 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.3 t 60.96 29.74 19.2 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.282 1.033 . . . . 0.0 109.713 -163.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -125.25 -169.01 1.92 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.843 1.257 . . . . 0.0 110.372 -173.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.412 HG22 ' H ' ' A' ' 33' ' ' SER . 25.0 m -60.87 147.55 42.57 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.758 1.223 . . . . 0.0 111.731 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.458 HG22 ' HA ' ' A' ' 21' ' ' SER . 95.3 t -56.29 -33.04 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 C-N-CA 123.978 0.911 . . . . 0.0 111.76 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.412 ' H ' HG22 ' A' ' 31' ' ' THR . 20.7 t -58.21 -29.16 65.48 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.409 1.084 . . . . 0.0 112.068 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -59.02 -49.42 77.98 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.58 0.752 . . . . 0.0 111.581 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.705 ' HG ' ' HE3' ' A' ' 20' ' ' TRP . 50.0 t -67.97 -38.35 82.65 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.949 0.5 . . . . 0.0 111.244 -176.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -64.73 -56.56 12.93 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.803 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -60.39 -36.61 78.49 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 123.96 0.787 . . . . 0.0 110.928 -175.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.474 ' HZ ' ' HG3' ' A' ' 6' ' ' MET . 15.1 t80 -54.29 -44.92 72.36 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.684 0.793 . . . . 0.0 110.682 172.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -73.0 -17.67 61.43 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.075 0.55 . . . . 0.0 111.233 -176.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 . . . . . 0 N--CA 1.485 1.291 0 C-N-CA 123.116 0.567 . . . . 0.0 110.959 172.952 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.64 -37.97 74.23 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.268 0.627 . . . . 0.0 111.385 174.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 9.0 tp10 -72.71 -48.85 35.36 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.463 176.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.9 mt -55.67 -36.1 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 C-N-CA 124.578 1.151 . . . . 0.0 111.297 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.409 ' HG ' ' HD3' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -71.25 -44.4 65.37 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.442 -178.161 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -59.13 -43.79 91.99 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.294 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.504 ' HB3' ' HE3' ' A' ' 58' ' ' LYS . 86.8 mm-40 -61.3 -43.01 99.59 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.681 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -56.41 -41.72 76.79 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 123.548 0.53 . . . . 0.0 110.865 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -64.73 -61.76 1.99 Allowed 'General case' 0 C--N 1.348 0.524 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.259 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 pp -66.56 -31.15 71.68 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 123.909 0.756 . . . . 0.0 112.893 -168.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.504 ' HE3' ' HB3' ' A' ' 54' ' ' GLN . 95.1 mttt -63.96 -51.24 65.27 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.164 0.586 . . . . 0.0 110.672 177.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 53.3 ttm -67.62 -36.5 80.93 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 123.985 0.803 . . . . 0.0 110.611 178.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -63.75 -49.98 70.85 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.498 1.119 . . . . 0.0 112.061 -176.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -71.69 -38.53 70.57 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.972 0.509 . . . . 0.0 111.707 -175.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -35.12 63.92 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -177.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -70.36 -33.68 71.74 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.098 0.559 . . . . 0.0 110.342 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 . . . . . 0 CA--C 1.551 0.985 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.924 174.02 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 38.0 m95 . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.4 m -63.12 162.13 12.25 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 123.691 0.796 . . . . 0.0 110.483 176.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -51.53 -29.43 16.78 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.607 1.163 . . . . 0.0 113.162 -174.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.2 -55.46 24.83 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.334 0.654 . . . . 0.0 110.824 -177.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.5 pm0 -78.61 -27.21 45.48 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.445 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 44.8 tpp -53.25 -52.87 57.58 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.751 0.82 . . . . 0.0 111.409 177.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.59 -34.01 88.75 Favored Glycine 0 C--N 1.344 1.001 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.905 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.623 HG22 HG12 ' A' ' 27' ' ' VAL . 28.4 m -70.36 -38.97 74.88 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.007 0.923 . . . . 0.0 111.006 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.555 ' HA ' HG11 ' A' ' 27' ' ' VAL . . . -77.48 -37.57 51.01 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.301 0.64 . . . . 0.0 110.454 -178.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -62.25 -42.63 99.5 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 123.966 0.791 . . . . 0.0 109.726 173.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -61.19 -41.8 97.46 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.864 0.865 . . . . 0.0 110.118 175.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.51 -48.99 77.8 Favored Glycine 0 C--N 1.345 1.048 0 O-C-N 123.46 0.475 . . . . 0.0 113.01 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.428 ' HB3' HD21 ' A' ' 48' ' ' LEU . 46.4 mt -69.0 -26.76 65.18 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.106 0.962 . . . . 0.0 110.49 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.9 tp -76.07 -39.03 56.31 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 123.25 0.62 . . . . 0.0 110.885 176.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -93.5 -62.72 1.31 Allowed 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 120.942 0.401 . . . . 0.0 110.787 -173.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -79.39 -29.25 41.96 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.873 0.869 . . . . 0.0 111.72 -174.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.471 ' HA2' HD11 ' A' ' 52' ' ' LEU . . . 100.76 -155.63 19.31 Favored Glycine 0 C--N 1.343 0.948 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.991 178.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -88.58 19.5 3.89 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.505 0.722 . . . . 0.0 112.284 -176.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.445 ' O ' HG12 ' A' ' 23' ' ' ILE . 28.5 m-80 -74.38 87.55 2.04 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 177.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -60.25 -27.75 67.48 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.816 0.846 . . . . 0.0 112.023 -168.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.1 t -67.0 -38.09 85.38 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.256 0.622 . . . . 0.0 110.761 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.98 -44.97 45.24 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.666 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 19' ' ' ASN . 26.6 mm -67.38 -52.48 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.078 -174.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 31' ' ' THR . . . -68.29 -22.33 64.73 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -174.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -80.72 -33.48 35.21 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 122.85 0.46 . . . . 0.0 110.073 176.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 55.7 ttp -77.94 -59.18 2.89 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.54 0.736 . . . . 0.0 111.452 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.623 HG12 HG22 ' A' ' 8' ' ' THR . 3.8 m -85.71 -42.36 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.203 1.001 . . . . 0.0 111.563 -171.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.03 -39.84 11.12 Favored Glycine 0 C--N 1.35 1.336 0 O-C-N 123.587 0.554 . . . . 0.0 112.187 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.6 t 65.39 10.26 6.4 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.127 1.371 . . . . 0.0 112.036 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -133.68 -78.23 0.47 Allowed 'General case' 0 C--N 1.36 1.031 0 O-C-N 121.84 -0.537 . . . . 0.0 111.719 -172.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.402 ' O ' ' HB1' ' A' ' 24' ' ' ALA . 19.2 m -125.23 136.99 54.1 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.018 0.527 . . . . 0.0 111.407 -165.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.6 -40.89 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 123.657 0.783 . . . . 0.0 111.18 175.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.3 m -57.95 -28.8 64.65 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.111 0.964 . . . . 0.0 111.856 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -62.09 -49.06 77.45 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.537 0.735 . . . . 0.0 111.381 -178.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 51.9 t -72.92 -26.6 61.46 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.15 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.431 ' HE2' ' HB3' ' A' ' 36' ' ' LYS . 37.0 mtpt -65.61 -41.7 92.43 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.393 171.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -66.64 -29.91 70.05 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.478 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -50.54 -44.86 56.51 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 124.066 0.946 . . . . 0.0 110.331 172.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -64.79 -33.49 76.1 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 114.148 -1.387 . . . . 0.0 112.25 -172.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 . . . . . 0 N--CA 1.478 0.973 0 C-N-CA 123.033 0.533 . . . . 0.0 111.936 -173.677 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.428 HD21 ' HB3' ' A' ' 13' ' ' LEU . 3.0 tm? . . . . . 0 CA--C 1.543 0.687 0 CA-C-O 120.907 0.384 . . . . 0.0 111.344 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -64.64 -32.18 73.72 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.364 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 40.2 tt0 -74.33 -39.17 63.01 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.098 0.559 . . . . 0.0 110.255 177.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.2 mt -57.3 -46.84 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 123.368 0.667 . . . . 0.0 110.542 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.471 HD11 ' HA2' ' A' ' 17' ' ' GLY . 4.5 mm? -72.29 -31.27 65.58 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.721 178.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -65.45 -49.82 67.7 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.81 0.444 . . . . 0.0 110.654 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 80.3 mm-40 -60.96 -48.92 79.6 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 124.159 0.912 . . . . 0.0 109.678 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -53.18 -46.0 68.75 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 123.68 0.612 . . . . 0.0 111.394 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -59.71 -57.39 13.14 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 123.756 0.66 . . . . 0.0 110.776 -177.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 pp -68.33 -30.02 68.9 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.595 0.56 . . . . 0.0 111.783 -173.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.538 ' HA ' ' HE3' ' A' ' 61' ' ' LYS . 59.4 mtpt -68.29 -49.91 57.23 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.075 0.55 . . . . 0.0 111.158 178.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 37.5 mmt -65.6 -42.75 91.29 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 123.616 0.573 . . . . 0.0 109.931 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -69.87 -41.76 74.38 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.358 -171.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.538 ' HE3' ' HA ' ' A' ' 58' ' ' LYS . 23.1 pttp -67.46 -41.69 84.25 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 123.032 0.208 . . . . 0.0 111.37 -174.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -27.67 60.61 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.465 0.306 . . . . 0.0 110.507 178.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -68.77 -40.21 79.84 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.131 0.972 . . . . 0.0 110.134 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 . . . . . 0 N--CA 1.471 0.581 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.746 176.079 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 40.5 m95 . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.5 m -76.38 163.89 26.54 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 123.719 0.808 . . . . 0.0 109.416 174.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.529 ' HA ' ' HB2' ' A' ' 6' ' ' MET . 38.3 mt-10 -57.18 -19.37 20.26 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -176.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -63.14 -57.52 10.28 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.461 0.704 . . . . 0.0 110.607 175.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -77.56 -29.45 52.2 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.25 0.62 . . . . 0.0 110.9 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.529 ' HB2' ' HA ' ' A' ' 3' ' ' GLU . 84.0 mmm -63.53 -38.97 93.17 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.206 0.602 . . . . 0.0 110.907 172.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.93 -32.39 53.34 Favored Glycine 0 C--N 1.343 0.924 0 O-C-N 123.817 0.698 . . . . 0.0 112.768 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.403 HG22 HG12 ' A' ' 27' ' ' VAL . 32.6 m -77.32 -29.57 53.67 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.229 0.612 . . . . 0.0 110.61 175.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.08 -33.07 61.63 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.368 0.667 . . . . 0.0 109.592 174.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.521 ' HG2' HD13 ' A' ' 51' ' ' ILE . 1.2 tmtp? -64.65 -51.93 60.01 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.204 1.001 . . . . 0.0 109.662 174.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -59.73 -38.76 82.6 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.0 1.32 . . . . 0.0 110.014 176.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.25 -48.83 56.59 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-N 115.04 -0.982 . . . . 0.0 112.436 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.572 HD13 HD11 ' A' ' 48' ' ' LEU . 76.0 mt -66.11 -39.28 89.81 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.231 0.612 . . . . 0.0 110.871 -175.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.469 HD12 ' HB2' ' A' ' 55' ' ' HIS . 42.1 tp -59.47 -54.42 46.87 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 123.665 0.603 . . . . 0.0 110.548 175.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -65.65 -57.4 8.2 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.582 0.753 . . . . 0.0 110.651 -174.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.49 ' HB2' HD11 ' A' ' 23' ' ' ILE . 85.0 m-70 -78.11 -14.94 59.29 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.037 0.935 . . . . 0.0 112.974 -173.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 68.79 56.4 9.5 Favored Glycine 0 CA--C 1.538 1.479 0 CA-C-O 120.082 -0.288 . . . . 0.0 113.476 177.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.525 ' HG3' ' HG ' ' A' ' 52' ' ' LEU . 57.2 mtt180 59.63 23.11 11.86 Favored 'General case' 0 N--CA 1.5 2.052 0 C-N-CA 124.545 1.138 . . . . 0.0 113.561 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.49 ' O ' HG12 ' A' ' 23' ' ' ILE . 19.9 t-20 -75.21 86.55 2.44 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 176.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 45.3 m95 -58.84 -26.45 64.18 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 123.882 0.873 . . . . 0.0 112.232 -172.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.493 ' HA ' HG22 ' A' ' 32' ' ' VAL . 45.2 t -59.32 -47.51 85.11 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.172 0.989 . . . . 0.0 110.573 173.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.19 -38.67 63.56 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 115.008 -0.997 . . . . 0.0 111.735 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.49 HD11 ' HB2' ' A' ' 16' ' ' HIS . 19.6 mm -72.51 -42.45 63.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 122.752 0.421 . . . . 0.0 110.617 -173.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.36 -37.21 79.99 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.858 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.3 ttt85 -73.38 -38.79 65.53 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 123.497 0.719 . . . . 0.0 110.879 174.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.5 ttt -68.33 -61.46 1.83 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.39 0.676 . . . . 0.0 111.599 -172.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.403 HG12 HG22 ' A' ' 8' ' ' THR . 18.9 m -87.17 -42.9 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 123.189 0.595 . . . . 0.0 111.708 -176.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.19 -41.21 8.67 Favored Glycine 0 C--N 1.346 1.122 0 CA-C-N 115.503 -0.771 . . . . 0.0 114.031 -174.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t 58.81 30.1 19.62 Favored 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 124.491 1.116 . . . . 0.0 109.474 -162.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -129.31 172.74 11.18 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.911 1.285 . . . . 0.0 110.076 -167.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.6 m -45.47 142.15 2.37 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 126.039 1.736 . . . . 0.0 113.46 176.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.493 HG22 ' HA ' ' A' ' 21' ' ' SER . 76.5 t -55.8 -37.27 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 C-N-CA 123.969 0.907 . . . . 0.0 111.149 178.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.428 ' HA ' ' HE3' ' A' ' 36' ' ' LYS . 15.6 m -54.22 -35.29 62.27 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.623 1.169 . . . . 0.0 112.241 178.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -63.05 -54.36 39.35 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.999 0.52 . . . . 0.0 111.923 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.411 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 44.0 t -71.78 -32.82 68.05 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-O 121.179 0.514 . . . . 0.0 111.179 -176.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.428 ' HE3' ' HA ' ' A' ' 33' ' ' SER . 24.9 ttpp -67.54 -46.77 71.82 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.308 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -74.57 -24.95 58.99 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.727 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.46 ' HZ ' ' SD ' ' A' ' 6' ' ' MET . 41.9 t80 -59.95 -24.56 64.48 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.473 0.709 . . . . 0.0 111.228 176.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.408 ' HE1' HD12 ' A' ' 48' ' ' LEU . 3.3 t80 -63.78 -16.53 61.44 Favored 'General case' 0 CA--C 1.56 1.357 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 . . . . . 0 CA--C 1.559 1.302 0 C-N-CA 124.765 1.226 . . . . 0.0 110.655 177.456 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.572 HD11 HD13 ' A' ' 13' ' ' LEU . 2.5 tm? . . . . . 0 N--CA 1.483 1.202 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -66.26 -38.35 87.65 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.061 -172.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 12.7 pt-20 -62.04 -37.03 83.39 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.578 0.751 . . . . 0.0 110.363 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.521 HD13 ' HG2' ' A' ' 10' ' ' LYS . 92.5 mt -54.73 -46.23 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.198 0.999 . . . . 0.0 111.348 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.525 ' HG ' ' HG3' ' A' ' 18' ' ' ARG . 4.3 mm? -77.54 -33.64 54.1 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.647 -178.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -65.48 -38.7 90.52 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 17.8 mm-40 -70.85 -42.36 70.22 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.942 176.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.469 ' HB2' HD12 ' A' ' 14' ' ' LEU . 27.1 t-80 -54.19 -45.54 72.18 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.105 0.562 . . . . 0.0 110.217 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -59.33 -53.79 54.2 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.004 0.921 . . . . 0.0 112.062 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.3 -25.28 63.25 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.643 0.377 . . . . 0.0 111.717 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.534 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 7.5 mtpm? -72.03 -49.64 35.13 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 122.941 0.497 . . . . 0.0 110.501 175.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 17.7 mmt -53.33 -38.79 63.54 Favored 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 124.021 0.928 . . . . 0.0 110.327 175.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -69.15 -53.99 17.25 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 114.372 -1.286 . . . . 0.0 111.63 178.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.534 ' HG2' ' HA ' ' A' ' 58' ' ' LYS . 21.2 ptmt -69.26 -38.4 78.39 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -169.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.21 -38.58 78.65 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.047 0.539 . . . . 0.0 110.705 -177.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -73.47 -37.3 65.83 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.097 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 57.9 t30 . . . . . 0 N--CA 1.474 0.767 0 C-N-CA 122.889 0.476 . . . . 0.0 110.472 178.874 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 73.1 m95 . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.9 m -67.91 150.25 48.77 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 171.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -61.03 -23.23 65.27 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-N 118.278 0.49 . . . . 0.0 111.512 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -62.65 -56.33 18.72 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.607 0.763 . . . . 0.0 111.241 175.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -72.62 -29.1 63.19 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.191 0.596 . . . . 0.0 110.841 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 37.9 ttm -66.91 -31.5 72.14 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.139 0.976 . . . . 0.0 110.874 177.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.37 -35.06 75.43 Favored Glycine 0 C--N 1.347 1.149 0 O-C-N 123.675 0.609 . . . . 0.0 112.429 174.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.6 m -69.42 -36.36 76.61 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.625 0.77 . . . . 0.0 110.323 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.23 -45.6 76.28 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.037 175.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -59.24 -42.82 91.99 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.968 1.307 . . . . 0.0 111.444 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -72.9 -34.94 66.96 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.32 0.648 . . . . 0.0 110.521 178.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.47 -44.9 92.32 Favored Glycine 0 C--N 1.347 1.141 0 N-CA-C 112.176 -0.37 . . . . 0.0 112.176 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.552 HD23 HG13 ' A' ' 23' ' ' ILE . 43.0 mt -63.26 -24.36 67.84 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.946 1.298 . . . . 0.0 111.053 177.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.7 tt -75.48 -58.19 3.43 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 122.772 0.429 . . . . 0.0 109.954 170.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.76 -63.07 1.43 Allowed 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 124.127 0.971 . . . . 0.0 111.98 -170.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -82.14 -25.83 34.02 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.453 -173.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.19 -175.17 23.68 Favored Glycine 0 C--N 1.336 0.563 0 N-CA-C 110.159 -1.176 . . . . 0.0 110.159 -166.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.466 ' HG3' HD22 ' A' ' 13' ' ' LEU . 40.6 ttp180 -85.06 32.32 0.54 Allowed 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 117.586 0.693 . . . . 0.0 110.948 -178.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.439 ' O ' HG12 ' A' ' 23' ' ' ILE . 39.7 m-20 -75.25 88.48 2.52 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.559 1.143 . . . . 0.0 108.687 -177.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -58.88 -25.75 63.63 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -166.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.461 ' HA ' HG22 ' A' ' 32' ' ' VAL . 42.6 t -68.99 -42.39 76.58 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 117.949 0.34 . . . . 0.0 110.349 177.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.89 -41.82 64.25 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.028 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.552 HG13 HD23 ' A' ' 13' ' ' LEU . 40.1 mm -69.55 -37.72 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.172 0.589 . . . . 0.0 110.529 -175.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.21 -22.44 57.95 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.01 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -82.24 -26.02 33.6 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.032 0.533 . . . . 0.0 110.123 172.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.5 ttt -76.07 -60.52 2.29 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.534 0.734 . . . . 0.0 110.627 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 23' ' ' ILE . 19.0 m -85.97 -47.74 16.36 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 C-N-CA 123.044 0.538 . . . . 0.0 111.743 -174.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.59 -41.33 9.08 Favored Glycine 0 C--N 1.352 1.437 0 C-N-CA 122.83 0.252 . . . . 0.0 113.018 -178.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.2 t 56.86 23.71 8.43 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 125.205 1.402 . . . . 0.0 112.119 -173.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -136.01 -69.14 0.49 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.955 0.502 . . . . 0.0 111.903 -172.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 60.8 m -133.59 131.51 39.75 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -169.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.461 HG22 ' HA ' ' A' ' 21' ' ' SER . 68.0 t -63.05 -42.78 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 C-N-CA 124.473 1.109 . . . . 0.0 111.401 177.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.9 m -56.6 -44.04 80.73 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.873 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -57.41 -45.24 84.8 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -172.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 47.8 t -77.05 -33.41 57.28 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.451 -178.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -70.64 -46.93 62.38 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.195 0.598 . . . . 0.0 110.814 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -61.21 -32.9 72.67 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.726 1.21 . . . . 0.0 111.342 -175.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -48.06 -45.51 32.4 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.584 1.153 . . . . 0.0 111.584 175.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -58.39 -30.69 67.01 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.506 -175.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 . . . . . 0 CA--C 1.547 0.84 0 C-N-CA 124.308 1.043 . . . . 0.0 111.916 -174.79 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.525 ' HA ' HD13 ' A' ' 51' ' ' ILE . 2.9 tm? . . . . . 0 CA--C 1.55 0.949 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -54.7 -43.21 72.34 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.533 1.133 . . . . 0.0 111.572 173.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 12.3 pt-20 -73.81 -23.8 59.72 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 123.252 0.345 . . . . 0.0 111.279 -178.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.525 HD13 ' HA ' ' A' ' 48' ' ' LEU . 1.8 mp -64.96 -46.96 90.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 C-N-CA 123.234 0.614 . . . . 0.0 109.535 175.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.403 HD23 HD13 ' A' ' 48' ' ' LEU . 4.4 mm? -66.72 -38.51 86.83 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.858 176.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -67.57 -41.29 84.42 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.372 0.669 . . . . 0.0 111.229 -177.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 14.9 mm-40 -65.15 -47.69 76.18 Favored 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -61.89 -30.06 70.62 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 123.573 0.546 . . . . 0.0 110.873 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -70.49 -52.01 25.0 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.969 0.908 . . . . 0.0 111.421 -179.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 pp -72.25 -27.74 62.69 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.021 0.528 . . . . 0.0 111.46 -176.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.432 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 97.0 mttt -73.73 -40.45 63.55 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 174.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 57.3 ttp -57.25 -36.4 70.93 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.877 0.871 . . . . 0.0 111.316 178.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -68.67 -58.73 3.82 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.765 177.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.432 ' HG2' ' HA ' ' A' ' 58' ' ' LYS . 59.7 pttt -65.05 -33.88 77.1 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 123.467 0.48 . . . . 0.0 112.009 -170.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -77.36 -32.55 55.12 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.726 0.41 . . . . 0.0 110.806 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -74.64 -35.31 62.87 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.335 0.654 . . . . 0.0 109.694 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 CA--C 1.542 0.66 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.562 173.429 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 99.5 m95 . . . . . 0 N--CA 1.473 0.706 0 CA-C-O 121.145 0.498 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.0 m -78.14 155.5 30.44 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.552 1.141 . . . . 0.0 109.361 173.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.4 ' HA ' ' HB3' ' A' ' 6' ' ' MET . 43.9 mt-10 -57.21 -20.86 29.54 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -175.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -73.23 -55.23 6.72 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.68 0.392 . . . . 0.0 110.5 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -68.72 -30.39 69.02 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 122.891 0.477 . . . . 0.0 110.684 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.4 ' HB3' ' HA ' ' A' ' 3' ' ' GLU . 46.6 tpp -66.16 -38.45 88.13 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.381 1.072 . . . . 0.0 110.555 175.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.23 -36.78 71.23 Favored Glycine 0 C--N 1.344 0.973 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.347 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.6 m -73.98 -28.78 61.65 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.271 0.628 . . . . 0.0 110.217 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.31 -50.14 42.36 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 177.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HG3' HD13 ' A' ' 51' ' ' ILE . 76.5 tttt -55.88 -42.24 75.63 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.898 1.279 . . . . 0.0 111.137 173.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -67.55 -35.59 79.35 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 123.786 0.679 . . . . 0.0 110.251 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.24 -46.01 67.07 Favored Glycine 0 C--N 1.341 0.855 0 CA-C-N 116.079 -0.509 . . . . 0.0 112.155 174.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.7 mt -65.3 -23.46 67.03 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.589 1.156 . . . . 0.0 110.724 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.527 HD12 ' HB2' ' A' ' 55' ' ' HIS . 63.2 tp -75.26 -60.56 2.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.033 0.533 . . . . 0.0 109.625 171.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -75.66 -60.69 2.2 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.247 0.619 . . . . 0.0 111.547 -168.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -67.7 -41.13 84.09 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 121.547 0.689 . . . . 0.0 110.328 176.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.62 -167.62 16.64 Favored Glycine 0 CA--C 1.523 0.546 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.964 -170.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 46.5 mtm180 -82.73 50.0 1.6 Allowed 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 121.592 0.71 . . . . 0.0 110.997 176.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.445 ' O ' HG12 ' A' ' 23' ' ' ILE . 70.7 m-20 -88.83 90.9 8.61 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 107.362 -1.348 . . . . 0.0 107.362 175.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.657 ' HE3' ' HG ' ' A' ' 35' ' ' CYS . 57.9 m95 -56.89 -38.35 72.65 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.482 1.113 . . . . 0.0 113.066 -163.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.1 t -62.3 -50.38 71.9 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.178 0.591 . . . . 0.0 110.557 175.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.54 -40.94 96.49 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.413 0.685 . . . . 0.0 111.857 -176.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 19' ' ' ASN . 25.1 mm -75.22 -39.57 42.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 123.052 0.541 . . . . 0.0 110.436 -175.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.51 -23.8 62.72 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.269 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -82.7 -28.85 30.26 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.345 0.658 . . . . 0.0 110.775 170.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.2 ttt -74.41 -61.21 1.95 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.008 0.523 . . . . 0.0 110.943 -176.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.8 m -88.92 -46.23 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 122.84 0.456 . . . . 0.0 111.955 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.31 -24.99 62.24 Favored Glycine 0 C--N 1.344 0.986 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.653 -175.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.6 t 65.09 13.42 8.69 Favored 'General case' 0 CA--C 1.559 1.321 0 C-N-CA 124.803 1.241 . . . . 0.0 112.06 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.469 ' HB2' ' NE2' ' A' ' 34' ' ' GLN . 28.1 mtpp -140.29 -147.53 0.22 Allowed 'General case' 0 CA--C 1.566 1.561 0 C-N-CA 123.866 0.867 . . . . 0.0 110.567 -170.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.454 HG22 ' H ' ' A' ' 33' ' ' SER . 56.0 m -67.62 148.87 50.81 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.196 1.398 . . . . 0.0 112.984 -170.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.9 p -47.98 -32.36 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 C-N-CA 125.719 1.607 . . . . 0.0 113.007 177.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.454 ' H ' HG22 ' A' ' 31' ' ' THR . 58.2 m -52.43 -33.88 46.08 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.787 1.235 . . . . 0.0 113.507 -177.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.469 ' NE2' ' HB2' ' A' ' 30' ' ' LYS . 41.0 mt-30 -58.37 -49.56 76.79 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.957 0.503 . . . . 0.0 111.963 -174.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.657 ' HG ' ' HE3' ' A' ' 20' ' ' TRP . 35.8 t -77.09 -31.52 55.98 Favored 'General case' 0 N--CA 1.481 1.102 0 O-C-N 123.52 0.512 . . . . 0.0 110.937 -175.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.38 -48.33 75.89 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.266 0.627 . . . . 0.0 111.285 175.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -71.79 -41.9 67.74 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.833 -177.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -49.13 -46.96 45.81 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 124.358 1.063 . . . . 0.0 111.654 176.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.459 ' HE1' HD12 ' A' ' 48' ' ' LEU . 25.6 t80 -65.81 -40.68 92.11 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.775 -169.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 . . . . . 0 CA--C 1.556 1.177 0 C-N-CA 123.467 0.707 . . . . 0.0 112.387 -172.56 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.479 ' HA ' HD12 ' A' ' 51' ' ' ILE . 2.3 tm? . . . . . 0 CA--C 1.549 0.935 0 CA-C-O 120.651 0.262 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -61.99 -39.55 92.59 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.431 0.692 . . . . 0.0 111.134 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -72.16 -36.94 69.44 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.687 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 48' ' ' LEU . 82.0 mt -57.98 -42.42 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 124.086 0.954 . . . . 0.0 111.315 179.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.447 HD23 HD13 ' A' ' 48' ' ' LEU . 4.1 mm? -67.11 -46.47 74.08 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.172 177.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.428 HE21 HD23 ' A' ' 57' ' ' LEU . 54.6 tp60 -59.64 -45.85 90.75 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.842 0.857 . . . . 0.0 110.992 -178.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.442 ' HB3' ' HE2' ' A' ' 58' ' ' LYS . 18.0 mm-40 -60.88 -52.21 66.01 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 124.062 0.851 . . . . 0.0 110.524 179.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.527 ' HB2' HD12 ' A' ' 14' ' ' LEU . 68.6 t60 -55.88 -41.26 74.17 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.322 0.649 . . . . 0.0 111.339 -178.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -60.42 -58.47 8.35 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.251 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.428 HD23 HE21 ' A' ' 53' ' ' GLN . 4.5 pp -74.14 -28.56 61.39 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.968 0.507 . . . . 0.0 112.239 -171.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.442 ' HE2' ' HB3' ' A' ' 54' ' ' GLN . 68.5 mttm -67.67 -48.49 66.47 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 176.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 49.0 ttm -68.0 -29.89 69.02 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 123.92 0.763 . . . . 0.0 111.128 177.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -71.95 -44.47 63.53 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 122.916 0.486 . . . . 0.0 111.188 -177.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -69.68 -39.99 76.66 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.693 -174.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.72 -34.76 72.26 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 123.336 0.398 . . . . 0.0 109.961 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -60.97 -44.0 97.98 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.369 1.068 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 64.4 t30 . . . . . 0 C--O 1.219 -0.519 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.701 178.642 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 83.8 m95 . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.607 0.241 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.5 m -71.34 155.6 40.47 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.683 1.193 . . . . 0.0 109.58 172.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.408 ' HA ' ' HB2' ' A' ' 6' ' ' MET . 42.0 mt-10 -61.04 -20.99 63.19 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -178.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -66.25 -55.59 15.42 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.337 0.655 . . . . 0.0 110.688 174.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -74.89 -27.78 60.37 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.561 0.745 . . . . 0.0 111.452 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.408 ' HB2' ' HA ' ' A' ' 3' ' ' GLU . 8.6 mmt -59.62 -45.57 91.56 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.894 0.878 . . . . 0.0 110.167 169.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.31 -36.3 92.57 Favored Glycine 0 C--N 1.343 0.963 0 CA-C-N 114.979 -1.01 . . . . 0.0 112.735 175.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.3 m -69.29 -33.52 73.33 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.544 0.738 . . . . 0.0 111.13 176.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.4 ' HA ' HG11 ' A' ' 27' ' ' VAL . . . -76.22 -38.37 56.5 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.452 0.701 . . . . 0.0 110.286 178.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -67.1 -47.49 71.04 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.458 0.703 . . . . 0.0 109.761 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -72.04 -31.95 66.65 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.974 0.91 . . . . 0.0 110.078 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.86 -56.38 14.86 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.893 176.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.466 HD23 HG13 ' A' ' 23' ' ' ILE . 44.8 mt -61.28 -32.19 72.02 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.111 0.964 . . . . 0.0 111.051 177.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.2 tp -58.36 -57.83 11.16 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.828 0.851 . . . . 0.0 110.133 175.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -78.77 -59.98 2.56 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.763 0.825 . . . . 0.0 112.517 -171.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -79.76 -7.1 58.44 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.697 0.799 . . . . 0.0 111.724 -170.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.531 ' HA2' HD11 ' A' ' 52' ' ' LEU . . . 87.13 -174.71 45.83 Favored Glycine 0 C--N 1.343 0.968 0 N-CA-C 112.062 -0.415 . . . . 0.0 112.062 -176.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -86.06 35.43 0.64 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.479 0.712 . . . . 0.0 111.171 178.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -81.34 95.86 7.14 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.259 1.024 . . . . 0.0 108.261 178.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.509 ' HE3' ' HG ' ' A' ' 35' ' ' CYS . 26.8 m95 -60.23 -32.23 70.93 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.693 0.797 . . . . 0.0 112.025 -168.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.414 ' HA ' HG22 ' A' ' 32' ' ' VAL . 32.2 t -65.53 -39.0 91.27 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.398 0.679 . . . . 0.0 111.395 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.81 -46.36 58.45 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.429 0.692 . . . . 0.0 110.476 -177.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.554 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 24.9 mm -73.34 -29.92 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.136 -175.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.444 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . . . -62.63 -32.28 73.29 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.175 0.59 . . . . 0.0 112.235 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -81.45 -37.82 27.4 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 175.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.3 ttt -64.63 -59.47 4.24 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.25 0.62 . . . . 0.0 111.189 -176.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 23' ' ' ILE . 13.1 m -88.04 -46.2 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.233 0.613 . . . . 0.0 112.305 -178.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.1 -43.81 7.93 Favored Glycine 0 C--N 1.349 1.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 113.193 -171.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.3 m 55.35 29.13 12.47 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.927 1.291 . . . . 0.0 111.845 -173.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -139.04 -80.91 0.31 Allowed 'General case' 0 C--N 1.354 0.778 0 C-N-CA 122.392 0.277 . . . . 0.0 111.403 -169.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.414 HG22 ' H ' ' A' ' 33' ' ' SER . 27.6 m -139.94 151.72 45.79 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.569 0.748 . . . . 0.0 110.227 -174.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.444 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 95.3 t -63.75 -32.8 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 123.599 0.76 . . . . 0.0 111.79 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.414 ' H ' HG22 ' A' ' 31' ' ' THR . 21.7 m -57.37 -26.78 61.57 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.957 0.903 . . . . 0.0 112.532 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -63.34 -52.18 62.85 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.8 0.44 . . . . 0.0 110.846 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.554 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 53.0 t -74.82 -32.01 61.84 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.521 -178.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -74.41 -47.45 33.79 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.627 0.771 . . . . 0.0 111.101 -176.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -74.79 -20.01 59.96 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.336 0.654 . . . . 0.0 111.036 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -58.99 -37.79 77.67 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.087 0.555 . . . . 0.0 109.879 170.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -71.55 -18.56 62.25 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.214 1.005 . . . . 0.0 111.721 -176.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.2 m-30 . . . . . 0 N--CA 1.484 1.233 0 C-N-CA 123.267 0.627 . . . . 0.0 111.144 -179.911 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 tm? . . . . . 0 CA--C 1.548 0.895 0 CA-C-O 121.092 0.472 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -64.07 -38.49 91.27 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.628 0.771 . . . . 0.0 111.189 173.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -70.79 -34.35 71.67 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.265 0.626 . . . . 0.0 110.402 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.4 mt -62.74 -43.42 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.302 0.641 . . . . 0.0 109.703 177.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.531 HD11 ' HA2' ' A' ' 17' ' ' GLY . 4.3 mm? -68.77 -35.39 76.99 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.549 175.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.98 -36.96 75.6 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 122.976 0.511 . . . . 0.0 110.381 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -66.5 -40.63 89.34 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.196 0.598 . . . . 0.0 110.173 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -65.37 -37.05 85.85 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 123.718 0.636 . . . . 0.0 110.31 176.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -67.68 -61.41 1.9 Allowed 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.549 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 pp -62.48 -36.48 82.62 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.749 0.819 . . . . 0.0 111.569 -171.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -64.03 -60.07 3.69 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 123.51 0.506 . . . . 0.0 110.048 175.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 51.3 ttm -60.24 -30.71 69.59 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 123.742 0.651 . . . . 0.0 111.248 -176.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -65.73 -60.1 3.24 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.918 0.887 . . . . 0.0 109.845 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -71.35 -33.58 69.72 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.908 -171.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.32 -30.61 57.76 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.465 0.306 . . . . 0.0 110.682 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -67.74 -55.0 14.79 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 174.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 . . . . . 0 N--CA 1.476 0.844 0 O-C-N 123.307 0.379 . . . . 0.0 111.203 179.812 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 55.5 m95 . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 120.735 0.303 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 34.1 m -107.47 161.58 14.7 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 124.405 1.082 . . . . 0.0 109.069 176.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -53.91 -19.23 4.24 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -56.16 -58.98 5.62 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-O 121.353 0.597 . . . . 0.0 110.575 171.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -81.18 -34.32 32.43 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.102 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 89.3 mtp -75.33 -23.29 57.24 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.407 0.683 . . . . 0.0 112.022 -177.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.1 -42.42 58.7 Favored Glycine 0 C--N 1.338 0.674 0 N-CA-C 111.642 -0.583 . . . . 0.0 111.642 174.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.9 m -68.44 -36.73 79.45 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.349 0.66 . . . . 0.0 110.583 175.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.77 -48.95 74.88 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.425 0.69 . . . . 0.0 110.09 176.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -61.04 -41.26 96.25 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.653 1.181 . . . . 0.0 110.836 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -62.66 -39.72 94.78 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.454 0.702 . . . . 0.0 109.559 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.27 -42.01 96.44 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.513 176.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.486 HD13 HD23 ' A' ' 48' ' ' LEU . 35.4 mt -67.19 -32.77 74.07 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.872 0.869 . . . . 0.0 110.766 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 tt -80.93 -31.69 34.94 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.655 0.782 . . . . 0.0 111.881 177.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -84.41 -60.09 2.18 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-O 121.29 0.567 . . . . 0.0 110.59 -175.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -81.04 -57.84 3.34 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.452 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 135.17 -163.72 24.84 Favored Glycine 0 C--N 1.341 0.806 0 CA-C-N 114.302 -1.317 . . . . 0.0 110.561 -170.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -83.96 24.62 0.89 Allowed 'General case' 0 CA--C 1.565 1.544 0 CA-C-N 117.642 0.721 . . . . 0.0 111.218 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.452 ' O ' HG12 ' A' ' 23' ' ' ILE . 1.8 m-20 -67.93 96.26 0.58 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.611 1.164 . . . . 0.0 109.299 -179.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -50.77 -47.83 59.46 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.854 1.261 . . . . 0.0 112.542 -167.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.9 t -61.98 -44.42 96.78 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.724 0.81 . . . . 0.0 111.64 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.72 -33.23 75.19 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.759 0.424 . . . . 0.0 111.474 -177.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.52 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 10.5 mm -82.03 -39.2 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-O 121.038 0.446 . . . . 0.0 110.294 179.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.97 -39.17 90.15 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.995 0.918 . . . . 0.0 111.693 -176.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -81.11 -23.5 38.35 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.796 0.838 . . . . 0.0 110.915 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.2 ttt -72.27 -59.79 2.56 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.946 0.498 . . . . 0.0 110.67 177.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.3 m -85.62 -48.96 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 122.706 0.403 . . . . 0.0 111.798 -174.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.09 -30.08 32.31 Favored Glycine 0 C--N 1.344 0.974 0 CA-C-O 119.768 -0.462 . . . . 0.0 113.773 -176.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.1 t 61.59 32.44 18.6 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.372 1.069 . . . . 0.0 109.674 -169.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.526 ' HG3' ' H ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -135.24 -178.19 4.99 Favored 'General case' 0 CA--C 1.556 1.193 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.823 -168.44 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.526 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 20.3 m -47.75 148.79 1.43 Allowed 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 126.21 1.804 . . . . 0.0 113.412 -179.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.1 p -50.9 -31.21 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 C-N-CA 124.996 1.318 . . . . 0.0 112.829 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.2 m -57.39 -32.86 67.24 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.114 1.366 . . . . 0.0 112.504 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.77 -55.22 37.02 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.242 1.017 . . . . 0.0 111.655 -173.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.52 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 34.6 t -70.55 -29.45 65.91 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 120.984 0.421 . . . . 0.0 111.191 -178.178 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -72.07 -33.84 68.25 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.566 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -78.03 -22.01 49.87 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.069 0.548 . . . . 0.0 111.095 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -65.16 -30.92 71.88 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.057 0.543 . . . . 0.0 110.36 170.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.53 ' HE1' ' HG ' ' A' ' 48' ' ' LEU . 16.2 t80 -63.41 -28.76 70.2 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.702 0.801 . . . . 0.0 112.713 -171.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 . . . . . 0 CA--C 1.547 0.846 0 C-N-CA 123.654 0.781 . . . . 0.0 110.522 -178.112 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.53 ' HG ' ' HE1' ' A' ' 39' ' ' TYR . 3.3 tm? . . . . . 0 CA--C 1.541 0.603 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -59.26 -33.74 71.4 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.512 178.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -64.15 -53.61 46.74 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.456 0.702 . . . . 0.0 109.918 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.2 mt -58.23 -49.43 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.381 -174.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -73.99 -41.61 61.66 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 114.657 -1.156 . . . . 0.0 111.728 -174.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -63.8 -42.53 97.7 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 122.715 0.406 . . . . 0.0 110.84 -177.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -68.02 -45.88 72.77 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.266 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -59.77 -40.84 89.57 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 122.459 0.304 . . . . 0.0 110.372 174.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -59.66 -54.46 46.2 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.415 1.086 . . . . 0.0 111.431 -176.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 pp -74.9 -30.18 61.21 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -175.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.534 ' HA ' ' HE3' ' A' ' 61' ' ' LYS . 67.1 mttm -66.51 -47.69 72.16 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 122.641 0.376 . . . . 0.0 110.254 176.095 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 51.9 ttp -67.41 -34.77 77.95 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 114.966 -1.016 . . . . 0.0 111.017 -177.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -74.74 -44.54 49.31 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.535 0.734 . . . . 0.0 110.758 -173.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.534 ' HE3' ' HA ' ' A' ' 58' ' ' LYS . 22.5 pttp -65.89 -39.19 90.4 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.68 0.392 . . . . 0.0 111.198 -175.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.88 -23.89 52.59 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.8 177.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -64.13 -48.58 75.53 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 176.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 . . . . . 0 N--CA 1.487 1.389 0 C-N-CA 122.513 0.325 . . . . 0.0 110.79 176.155 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 75.1 m95 . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.9 m -76.17 170.28 16.6 Favored 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 124.438 1.095 . . . . 0.0 109.481 171.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -61.72 -21.57 64.61 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -171.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -72.18 -51.74 19.8 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.845 0.858 . . . . 0.0 110.916 -176.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -77.7 -29.69 51.45 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.618 0.767 . . . . 0.0 110.321 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 45.5 tpp -59.14 -38.06 78.77 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.067 0.947 . . . . 0.0 109.862 168.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.77 -28.07 59.72 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-N 115.184 -0.917 . . . . 0.0 113.307 177.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 m -72.29 -33.16 67.21 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.101 0.561 . . . . 0.0 109.638 173.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.79 -29.36 50.8 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.957 0.903 . . . . 0.0 110.755 175.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.543 ' HG2' HD13 ' A' ' 51' ' ' ILE . 4.9 tmtm? -63.86 -47.58 80.16 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.666 0.786 . . . . 0.0 108.969 172.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -63.68 -41.58 98.13 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.756 1.222 . . . . 0.0 110.785 176.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.84 -58.88 8.27 Favored Glycine 0 C--N 1.343 0.95 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.124 -178.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.409 HD23 HG13 ' A' ' 23' ' ' ILE . 23.5 mt -59.61 -30.29 68.58 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.205 1.002 . . . . 0.0 110.771 -179.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 tt -60.93 -61.76 2.35 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 172.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -67.92 -59.94 2.89 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.548 0.739 . . . . 0.0 110.703 -170.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.469 ' HB2' HD11 ' A' ' 23' ' ' ILE . 76.8 m-70 -64.89 -25.61 67.97 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 115.201 -0.908 . . . . 0.0 111.52 -176.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.34 63.61 2.34 Favored Glycine 0 C--N 1.352 1.423 0 O-C-N 123.159 0.287 . . . . 0.0 112.634 175.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.414 ' HB2' HD11 ' A' ' 52' ' ' LEU . 28.5 ttp180 56.6 24.07 8.39 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.334 1.454 . . . . 0.0 113.611 177.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.474 ' O ' HG12 ' A' ' 23' ' ' ILE . 6.8 m-80 -77.61 84.47 3.98 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 174.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.781 ' HE3' ' HG ' ' A' ' 35' ' ' CYS . 68.5 m95 -55.46 -31.47 61.99 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.758 1.223 . . . . 0.0 112.207 -169.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.3 t -63.9 -50.33 69.17 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.338 0.655 . . . . 0.0 110.078 176.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.72 -34.47 77.24 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.47 -178.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.523 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 20.1 mm -78.66 -41.98 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.319 0.648 . . . . 0.0 110.072 -176.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.74 -31.0 71.15 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.951 178.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.8 mtp85 -82.03 -38.14 25.44 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.688 0.795 . . . . 0.0 111.252 175.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.1 ttt -71.04 -62.61 1.33 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.154 0.582 . . . . 0.0 111.373 -175.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.3 m -89.77 -36.89 9.05 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 C-N-CA 123.568 0.747 . . . . 0.0 112.134 -177.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.37 -36.96 13.0 Favored Glycine 0 C--N 1.348 1.232 0 CA-C-N 115.879 -0.6 . . . . 0.0 113.992 -175.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 t 66.64 31.45 7.71 Favored 'General case' 0 CA--C 1.561 1.4 0 C-N-CA 124.673 1.189 . . . . 0.0 111.513 -176.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.491 ' HG2' ' H ' ' A' ' 31' ' ' THR . 64.4 tttt -157.91 -170.14 3.07 Favored 'General case' 0 CA--C 1.565 1.53 0 C-N-CA 123.243 0.617 . . . . 0.0 110.424 -175.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.491 ' H ' ' HG2' ' A' ' 30' ' ' LYS . 16.4 m -61.93 157.09 19.27 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.653 1.181 . . . . 0.0 113.303 -174.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.6 t -44.66 -36.31 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 C-N-CA 126.131 1.772 . . . . 0.0 112.93 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.2 t -48.94 -44.46 40.6 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.053 1.341 . . . . 0.0 112.455 -179.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -62.8 -37.58 87.3 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.215 0.606 . . . . 0.0 112.092 -175.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.781 ' HG ' ' HE3' ' A' ' 20' ' ' TRP . 49.3 t -71.25 -28.27 64.05 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 120.804 0.335 . . . . 0.0 110.79 177.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -71.48 -49.11 44.5 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.173 0.589 . . . . 0.0 111.634 177.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -73.13 -21.6 60.69 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.814 0.445 . . . . 0.0 111.073 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -58.13 -41.34 83.47 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.509 1.124 . . . . 0.0 110.854 170.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -63.13 -32.35 73.71 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.124 -173.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 . . . . . 0 CA--C 1.549 0.939 0 C-N-CA 124.18 0.992 . . . . 0.0 109.728 176.706 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.454 ' HA ' HD12 ' A' ' 51' ' ' ILE . 2.5 tm? . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -60.33 -42.38 95.54 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.367 0.667 . . . . 0.0 110.747 176.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 37.5 tt0 -68.42 -50.14 54.85 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.044 176.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.543 HD13 ' HG2' ' A' ' 10' ' ' LYS . 95.0 mt -50.59 -44.47 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 C-N-CA 124.346 1.058 . . . . 0.0 111.258 -178.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.414 HD11 ' HB2' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -70.17 -44.19 69.28 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.484 -177.128 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -66.64 -38.52 87.08 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.086 -178.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 79.7 mm-40 -69.3 -45.61 69.16 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -59.31 -36.35 75.46 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 122.857 0.463 . . . . 0.0 110.67 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -62.76 -55.69 24.26 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 123.73 0.644 . . . . 0.0 110.515 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 pp -71.72 -32.35 67.68 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 123.604 0.565 . . . . 0.0 111.868 -173.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -65.15 -55.87 16.16 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.358 0.663 . . . . 0.0 109.379 176.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 45.3 ttp -54.73 -45.75 74.15 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 124.35 1.031 . . . . 0.0 110.972 178.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -61.37 -47.99 83.33 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.632 0.773 . . . . 0.0 111.437 -173.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -73.9 -41.59 61.92 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.36 -174.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.5 -32.33 66.09 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 120.638 0.256 . . . . 0.0 110.858 -177.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -72.47 -39.47 67.7 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.616 177.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 . . . . . 0 N--CA 1.479 1.006 0 C-N-CA 122.964 0.506 . . . . 0.0 110.609 -179.495 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 66.2 m95 . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.5 m -69.8 161.58 29.56 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.943 0.897 . . . . 0.0 109.406 172.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -53.27 -35.54 60.16 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.035 0.934 . . . . 0.0 112.318 -173.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -60.55 -56.96 15.05 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.286 0.634 . . . . 0.0 111.378 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -74.12 -30.67 62.43 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.795 0.838 . . . . 0.0 111.228 -176.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 48.6 tpp -60.45 -43.72 96.59 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.309 1.044 . . . . 0.0 109.779 172.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.68 -28.25 65.62 Favored Glycine 0 C--N 1.351 1.391 0 CA-C-N 114.941 -1.027 . . . . 0.0 112.956 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.4 m -69.93 -42.44 73.26 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.052 0.541 . . . . 0.0 109.806 175.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.17 -54.23 40.88 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.518 177.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -49.43 -44.84 45.78 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.402 1.481 . . . . 0.0 111.805 175.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -62.19 -50.77 70.46 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.854 0.722 . . . . 0.0 110.683 -178.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.57 -31.2 79.96 Favored Glycine 0 C--N 1.346 1.128 0 O-C-N 124.063 0.852 . . . . 0.0 113.45 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.623 HD13 HD23 ' A' ' 48' ' ' LEU . 78.3 mt -78.31 -33.72 49.17 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.828 0.851 . . . . 0.0 110.697 179.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 tt -76.67 -25.94 54.24 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.49 0.716 . . . . 0.0 109.498 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -90.81 -63.03 1.33 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.378 0.671 . . . . 0.0 111.798 -176.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -82.1 -51.22 8.21 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.809 0.844 . . . . 0.0 110.324 -175.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.422 ' HA2' HD21 ' A' ' 52' ' ' LEU . . . 88.75 92.76 1.09 Allowed Glycine 0 C--N 1.343 0.956 0 CA-C-N 115.866 -0.606 . . . . 0.0 113.488 177.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 67.68 7.47 5.69 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 170.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.506 ' O ' HG12 ' A' ' 23' ' ' ILE . 19.5 m120 -79.93 77.13 6.62 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.588 ' HE3' ' SG ' ' A' ' 35' ' ' CYS . 14.2 m95 -56.1 -29.14 60.18 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.25 1.02 . . . . 0.0 112.045 -170.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.406 ' HA ' HG22 ' A' ' 32' ' ' VAL . 29.0 p -59.41 -51.72 68.67 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.887 0.875 . . . . 0.0 110.759 175.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.33 -40.05 81.74 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.234 -0.893 . . . . 0.0 111.126 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.622 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 18.3 mm -68.31 -41.77 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 O-C-N 123.499 0.499 . . . . 0.0 110.113 -175.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.11 -34.02 77.09 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.436 0.694 . . . . 0.0 111.543 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -79.75 -24.5 41.52 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.952 176.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.8 ttt -73.33 -55.79 5.94 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.481 0.712 . . . . 0.0 110.62 178.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 23' ' ' ILE . 28.6 m -85.64 -52.0 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 122.976 0.51 . . . . 0.0 111.621 -177.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.99 -37.1 11.84 Favored Glycine 0 C--N 1.341 0.832 0 CA-C-O 119.918 -0.379 . . . . 0.0 113.412 -174.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.7 t 64.31 21.48 12.52 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.287 1.035 . . . . 0.0 109.81 -163.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -120.99 -166.42 1.34 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.722 1.209 . . . . 0.0 110.144 -171.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 86.9 m -64.77 157.6 27.13 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 124.767 1.227 . . . . 0.0 111.895 179.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.406 HG22 ' HA ' ' A' ' 21' ' ' SER . 81.3 t -49.25 -30.0 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 C-N-CA 125.351 1.461 . . . . 0.0 112.725 179.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.4 m -46.83 -47.83 21.01 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.434 1.494 . . . . 0.0 112.331 178.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -61.12 -33.15 72.92 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 124.076 0.951 . . . . 0.0 112.863 -175.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.622 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 50.1 t -74.82 -37.56 62.26 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.055 0.455 . . . . 0.0 110.639 177.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -69.31 -28.24 66.09 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.949 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.03 -53.67 55.72 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.453 0.701 . . . . 0.0 109.87 174.07 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -50.84 -40.0 54.78 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.596 0.758 . . . . 0.0 111.789 177.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.489 ' HE1' HD12 ' A' ' 48' ' ' LEU . 26.0 t80 -63.12 -33.52 75.64 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.389 -173.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 N--CA 1.483 1.183 0 C-N-CA 123.459 0.704 . . . . 0.0 111.958 -177.446 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.623 HD23 HD13 ' A' ' 13' ' ' LEU . 2.8 tm? . . . . . 0 N--CA 1.476 0.827 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -50.72 -54.97 18.89 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.787 0.835 . . . . 0.0 112.281 -178.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 12.3 pt-20 -84.17 -21.96 31.14 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 118.998 -0.525 . . . . 0.0 112.114 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.73 -38.26 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 CA-C-O 121.312 0.577 . . . . 0.0 109.878 173.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.485 HD23 HD21 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -79.93 -30.07 39.87 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.384 179.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.412 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 23.2 tp60 -59.52 -41.43 89.96 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 170.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 87.3 mm-40 -62.83 -53.71 50.11 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 123.857 0.723 . . . . 0.0 109.914 174.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -50.94 -38.13 48.45 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.319 0.647 . . . . 0.0 111.364 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -67.12 -62.31 1.49 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.636 0.774 . . . . 0.0 110.248 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 pp -68.42 -31.9 71.57 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 123.584 0.553 . . . . 0.0 112.251 -168.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -65.32 -54.47 28.6 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.697 0.799 . . . . 0.0 111.32 -176.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 65.0 ttp -69.24 -37.85 78.2 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.587 0.555 . . . . 0.0 110.191 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -65.58 -47.9 74.21 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.161 0.584 . . . . 0.0 110.906 -174.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.37 -38.87 81.79 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.896 0.478 . . . . 0.0 111.398 -174.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -77.45 -26.54 51.6 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 123.389 0.431 . . . . 0.0 110.291 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -71.8 -44.48 63.88 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 122.967 0.507 . . . . 0.0 109.738 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 173.364 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 37.6 m95 . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.1 m -68.81 153.11 44.37 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.42 0.688 . . . . 0.0 109.782 171.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.54 ' HA ' ' HB2' ' A' ' 6' ' ' MET . 45.2 mt-10 -53.5 -19.64 3.93 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.118 0.967 . . . . 0.0 113.419 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -63.48 -57.14 11.17 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.535 0.734 . . . . 0.0 110.87 176.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 pm0 -76.98 -28.64 55.19 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.051 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.54 ' HB2' ' HA ' ' A' ' 3' ' ' GLU . 87.9 mmm -61.89 -38.46 88.4 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.975 0.51 . . . . 0.0 110.777 172.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.16 -40.95 71.03 Favored Glycine 0 C--N 1.345 1.047 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.317 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.5 m -68.67 -30.61 69.33 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.225 0.61 . . . . 0.0 110.671 176.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.0 -48.97 40.92 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.282 0.633 . . . . 0.0 109.422 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -57.31 -40.78 78.6 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.575 1.15 . . . . 0.0 110.463 175.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -63.59 -44.62 93.48 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.633 0.773 . . . . 0.0 109.623 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.408 ' HA2' ' HD2' ' A' ' 16' ' ' HIS . . . -60.57 -39.64 96.74 Favored Glycine 0 C--N 1.344 1.02 0 O-C-N 123.812 0.695 . . . . 0.0 112.524 177.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.546 HD13 HD23 ' A' ' 48' ' ' LEU . 26.4 mt -76.67 -26.48 54.84 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 123.892 0.877 . . . . 0.0 110.599 -178.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.8 tp -80.23 -24.77 39.96 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.298 1.039 . . . . 0.0 111.952 173.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -108.86 -64.18 1.26 Allowed 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.486 0.714 . . . . 0.0 111.502 -173.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.408 ' HD2' ' HA2' ' A' ' 12' ' ' GLY . 74.5 m-70 -77.09 -16.59 59.15 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.734 0.814 . . . . 0.0 110.799 179.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.93 -147.63 23.95 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-N 115.77 -0.65 . . . . 0.0 113.16 175.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -82.41 -2.19 52.35 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.09 0.956 . . . . 0.0 111.734 -173.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.501 ' O ' HG12 ' A' ' 23' ' ' ILE . 56.9 t-20 -62.97 92.06 0.05 OUTLIER 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.642 0.777 . . . . 0.0 109.447 -176.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.577 ' HE3' ' HG ' ' A' ' 35' ' ' CYS . 20.0 m95 -57.52 -30.76 65.43 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.908 0.883 . . . . 0.0 111.283 -174.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.2 t -66.79 -44.71 80.56 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.489 0.715 . . . . 0.0 110.223 177.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.9 -35.59 77.03 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.743 0.417 . . . . 0.0 111.525 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.501 HG12 ' O ' ' A' ' 19' ' ' ASN . 11.5 mm -75.76 -42.55 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -178.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.66 -30.63 71.65 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.076 0.551 . . . . 0.0 110.625 177.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -77.27 -31.74 55.08 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.097 0.959 . . . . 0.0 110.547 177.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.2 ttt -78.0 -63.51 1.37 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.621 0.768 . . . . 0.0 111.656 -178.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 23' ' ' ILE . 18.8 m -88.4 -37.49 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 123.363 0.665 . . . . 0.0 112.2 -174.217 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.21 -27.48 44.34 Favored Glycine 0 C--N 1.344 1.011 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.638 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.8 t 63.85 18.41 11.14 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 124.834 1.254 . . . . 0.0 111.058 -174.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.462 ' HG2' ' H ' ' A' ' 31' ' ' THR . 57.3 tttt -137.61 -173.33 3.46 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.647 0.779 . . . . 0.0 110.342 -169.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.462 ' H ' ' HG2' ' A' ' 30' ' ' LYS . 7.2 m -73.83 160.19 31.8 Favored 'General case' 0 CA--C 1.57 1.745 0 C-N-CA 123.89 0.876 . . . . 0.0 112.172 -174.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.3 p -44.89 -32.48 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 C-N-CA 126.698 1.999 . . . . 0.0 115.655 -167.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.6 t -55.44 -33.46 63.6 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.626 0.77 . . . . 0.0 112.103 -174.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -56.96 -52.78 63.87 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 122.908 0.483 . . . . 0.0 112.186 -177.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.577 ' HG ' ' HE3' ' A' ' 20' ' ' TRP . 42.5 t -81.9 -31.87 31.21 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -175.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -68.34 -38.95 81.99 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -69.74 -38.05 76.68 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 119.163 -0.446 . . . . 0.0 110.258 173.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -54.25 -29.17 45.85 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.457 0.703 . . . . 0.0 111.725 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -63.73 -32.53 74.05 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 122.802 0.441 . . . . 0.0 111.531 -177.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 . . . . . 0 N--CA 1.479 0.987 0 C-N-CA 124.27 1.028 . . . . 0.0 110.463 -179.329 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.546 HD23 HD13 ' A' ' 13' ' ' LEU . 2.8 tm? . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.73 0.3 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -54.45 -43.28 71.49 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.285 176.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -79.35 -37.25 37.91 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.039 0.536 . . . . 0.0 111.223 177.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.1 mt -57.87 -40.29 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 C-N-CA 123.016 0.526 . . . . 0.0 110.617 -177.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -75.23 -33.14 61.32 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.715 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.459 ' HG3' HD23 ' A' ' 57' ' ' LEU . 60.8 tp60 -66.98 -44.04 81.46 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 178.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -64.57 -42.46 95.63 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.795 0.838 . . . . 0.0 109.74 177.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -54.28 -44.64 72.05 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.69 0.619 . . . . 0.0 110.43 175.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -68.56 -61.42 1.83 Allowed 'General case' 0 CA--C 1.542 0.654 0 O-C-N 123.851 0.719 . . . . 0.0 111.634 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.459 HD23 ' HG3' ' A' ' 53' ' ' GLN . 4.3 pp -64.28 -32.56 74.21 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.105 0.562 . . . . 0.0 112.043 -168.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -76.13 -35.63 59.16 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.232 0.613 . . . . 0.0 110.834 177.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 49.0 tpp -63.73 -53.46 50.82 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -64.4 -28.75 69.9 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.011 0.924 . . . . 0.0 111.43 -178.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -64.44 -57.03 10.43 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.349 0.659 . . . . 0.0 110.433 177.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.87 -30.24 65.21 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.465 -178.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.4 ttp85 -74.68 -39.23 62.12 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.297 0.639 . . . . 0.0 109.879 -175.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 66.9 t30 . . . . . 0 N--CA 1.476 0.861 0 C-N-CA 122.672 0.389 . . . . 0.0 110.212 176.562 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 60.8 m95 . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 120.636 0.255 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.437 HG22 ' H ' ' A' ' 4' ' ' GLU . 92.0 m -75.14 152.93 38.45 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.096 0.959 . . . . 0.0 109.437 170.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -55.33 -23.83 25.9 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.75 0.82 . . . . 0.0 112.717 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.437 ' H ' HG22 ' A' ' 2' ' ' THR . 41.1 mt-10 -73.55 -54.61 7.79 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.219 0.608 . . . . 0.0 111.159 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -68.61 -30.3 69.0 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 122.676 0.39 . . . . 0.0 110.552 178.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 47.8 ttm -68.35 -36.34 79.09 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.306 1.042 . . . . 0.0 110.097 174.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.74 -29.09 65.91 Favored Glycine 0 C--N 1.349 1.258 0 CA-C-N 115.338 -0.847 . . . . 0.0 112.758 174.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.5 m -78.58 -29.37 46.15 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.46 0.704 . . . . 0.0 109.747 176.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.516 ' O ' ' HG ' ' A' ' 13' ' ' LEU . . . -68.44 -48.16 65.31 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 173.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -53.45 -41.47 66.16 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 124.725 1.265 . . . . 0.0 110.518 172.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -64.29 -41.57 96.81 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.657 0.783 . . . . 0.0 110.599 177.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.16 -34.9 89.58 Favored Glycine 0 C--N 1.342 0.89 0 O-C-N 123.415 0.447 . . . . 0.0 113.043 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 9' ' ' ALA . 36.9 mt -76.12 -27.62 57.14 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.635 0.774 . . . . 0.0 109.909 177.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.1 tp -78.37 -26.36 46.6 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.204 1.002 . . . . 0.0 111.24 173.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -91.73 -63.21 1.28 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.567 0.747 . . . . 0.0 111.083 -174.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -90.83 -43.31 10.13 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.149 0.98 . . . . 0.0 110.68 -177.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.48 -170.29 13.32 Favored Glycine 0 C--O 1.243 0.658 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.746 -168.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.487 ' HG2' HD22 ' A' ' 13' ' ' LEU . 63.7 mtm180 -86.44 53.62 2.87 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.181 0.593 . . . . 0.0 112.093 -177.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.453 ' O ' HG12 ' A' ' 23' ' ' ILE . 19.4 t-20 -86.14 92.13 8.65 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 169.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 43.2 m95 -53.13 -46.13 68.65 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.833 1.253 . . . . 0.0 112.758 -165.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.8 t -67.22 -38.51 85.4 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.266 0.627 . . . . 0.0 111.757 -177.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.76 -41.16 79.25 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 122.723 0.409 . . . . 0.0 111.028 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.453 HG12 ' O ' ' A' ' 19' ' ' ASN . 29.7 mm -74.46 -32.52 30.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.168 -178.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.31 -25.65 61.65 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 122.829 0.451 . . . . 0.0 110.747 175.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -81.97 -29.03 32.36 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.15 0.58 . . . . 0.0 110.149 173.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.1 ttt -72.38 -62.36 1.47 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.207 0.603 . . . . 0.0 110.554 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 23' ' ' ILE . 12.2 m -89.85 -41.34 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.316 0.646 . . . . 0.0 112.286 -174.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.18 -25.89 50.21 Favored Glycine 0 C--N 1.345 1.067 0 CA-C-N 116.033 -0.531 . . . . 0.0 113.092 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.9 t 58.42 31.39 20.9 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.567 1.147 . . . . 0.0 110.613 -175.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.492 ' HG3' ' H ' ' A' ' 31' ' ' THR . 9.2 tppt? -148.8 -165.02 2.16 Favored 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 123.549 0.74 . . . . 0.0 109.457 -169.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.492 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 10.2 t -72.11 165.2 24.8 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.65 0.78 . . . . 0.0 112.513 -176.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.1 p -46.48 -35.55 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 C-N-CA 125.963 1.705 . . . . 0.0 113.976 -177.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.4 t -50.75 -36.93 39.11 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.752 1.221 . . . . 0.0 112.865 -172.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -65.3 -45.88 82.63 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.97 0.508 . . . . 0.0 112.171 -173.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 44.7 t -80.73 -37.9 29.73 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.316 0.247 . . . . 0.0 111.143 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -73.69 -49.23 26.8 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.699 0.4 . . . . 0.0 111.029 -171.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -68.16 -32.71 73.16 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 119.17 -0.443 . . . . 0.0 110.964 177.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -56.67 -42.45 79.03 Favored 'General case' 0 N--CA 1.483 1.223 0 O-C-N 123.229 0.331 . . . . 0.0 110.86 171.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -77.95 -38.31 45.55 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.555 -174.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 . . . . . 0 N--CA 1.482 1.16 0 C-N-CA 123.293 0.637 . . . . 0.0 110.886 -179.113 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.519 ' HA ' HD12 ' A' ' 51' ' ' ILE . 2.9 tm? . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 119.967 -0.064 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -54.06 -41.08 67.75 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.192 0.597 . . . . 0.0 111.259 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 34.2 tt0 -67.01 -49.08 66.44 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.538 175.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.519 HD12 ' HA ' ' A' ' 48' ' ' LEU . 77.7 mt -56.63 -39.86 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 C-N-CA 124.778 1.231 . . . . 0.0 111.439 -176.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -69.91 -41.29 74.87 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.423 -178.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -63.1 -36.15 82.63 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.393 175.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 85.0 mm-40 -63.52 -46.5 85.75 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 123.398 0.437 . . . . 0.0 109.835 -179.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -52.13 -42.53 63.39 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.755 0.822 . . . . 0.0 111.227 174.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -66.57 -52.31 46.88 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.706 0.803 . . . . 0.0 111.851 -178.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 pp -72.85 -27.06 61.7 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -172.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.427 ' HE2' ' HB3' ' A' ' 54' ' ' GLN . 65.9 mttm -65.72 -48.42 72.0 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 174.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 48.7 ttm -66.41 -36.04 81.83 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 124.296 0.998 . . . . 0.0 111.245 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -67.39 -48.11 68.33 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.018 0.927 . . . . 0.0 111.431 -178.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 pttm -65.11 -39.58 93.32 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.478 0.711 . . . . 0.0 110.556 -174.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -81.02 -28.92 35.25 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.268 0.627 . . . . 0.0 110.706 -173.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.0 ttm105 -66.45 -49.55 66.3 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 123.745 0.653 . . . . 0.0 109.713 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 . . . . . 0 N--CA 1.471 0.576 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.853 178.592 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 98.6 m95 . . . . . 0 N--CA 1.478 0.948 0 CA-C-O 120.786 0.327 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 48.0 m -92.79 165.1 13.09 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.227 1.011 . . . . 0.0 108.676 169.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.536 ' HA ' ' HB3' ' A' ' 6' ' ' MET . 40.3 tt0 -51.27 -25.29 5.48 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 124.713 1.205 . . . . 0.0 113.329 -178.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -63.5 -56.53 15.34 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.031 0.932 . . . . 0.0 111.176 -178.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -77.94 -29.33 49.9 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.18 0.592 . . . . 0.0 111.085 176.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.536 ' HB3' ' HA ' ' A' ' 3' ' ' GLU . 31.4 tpp -62.93 -33.28 75.02 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 123.99 0.916 . . . . 0.0 110.452 176.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.82 -30.97 50.78 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-N 115.587 -0.733 . . . . 0.0 113.01 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.8 m -74.28 -34.75 63.65 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.348 0.659 . . . . 0.0 109.927 174.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.78 -37.2 76.26 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.346 0.658 . . . . 0.0 110.108 174.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.507 ' HG2' HD13 ' A' ' 51' ' ' ILE . 1.4 tmtp? -58.96 -47.86 83.6 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.545 1.138 . . . . 0.0 109.622 172.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -64.2 -36.23 83.38 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 124.33 1.019 . . . . 0.0 110.498 -178.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.6 -46.33 90.39 Favored Glycine 0 C--N 1.345 1.058 0 O-C-N 123.748 0.655 . . . . 0.0 112.262 175.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.5 mt -70.64 -24.17 62.67 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 123.737 0.815 . . . . 0.0 110.89 179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.0 tp -77.03 -37.71 54.31 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.74 0.816 . . . . 0.0 111.219 175.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -89.35 -63.61 1.26 Allowed 'General case' 0 N--CA 1.478 0.969 0 CA-C-O 121.215 0.531 . . . . 0.0 110.663 -176.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -73.38 -38.55 65.63 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.796 -176.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.54 -162.79 16.58 Favored Glycine 0 C--N 1.338 0.67 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.173 -172.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -79.26 36.77 0.3 Allowed 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.69 0.796 . . . . 0.0 112.083 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.429 ' O ' HG12 ' A' ' 23' ' ' ILE . 71.4 m-20 -77.95 79.27 4.42 Favored 'General case' 0 C--N 1.346 0.452 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 172.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.628 ' HE3' ' HG ' ' A' ' 35' ' ' CYS . 72.6 m95 -56.15 -36.15 67.96 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.17 0.988 . . . . 0.0 112.28 -168.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.0 p -62.71 -43.1 99.67 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.417 0.687 . . . . 0.0 111.105 175.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.3 -35.82 71.42 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.097 0.559 . . . . 0.0 111.456 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.432 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 22.2 mm -74.33 -39.02 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.33 -28.53 68.74 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.973 175.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -31.82 53.32 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.343 0.657 . . . . 0.0 110.457 176.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.4 ttt -77.25 -62.63 1.59 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.651 0.78 . . . . 0.0 111.403 -175.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 23' ' ' ILE . 22.1 m -88.06 -37.97 11.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 122.96 0.504 . . . . 0.0 111.651 -173.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.77 -41.85 8.61 Favored Glycine 0 C--N 1.345 1.036 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.802 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.1 t 59.43 26.61 15.57 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.66 1.184 . . . . 0.0 110.013 -165.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -127.4 -175.41 3.44 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.213 1.405 . . . . 0.0 110.239 -174.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 56.9 m -61.92 155.37 23.7 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.082 0.953 . . . . 0.0 111.66 -179.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.2 p -48.48 -33.56 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 C-N-CA 124.566 1.146 . . . . 0.0 112.616 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.3 m -49.15 -35.84 17.71 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.304 1.442 . . . . 0.0 112.59 177.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -59.7 -52.13 66.83 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.882 0.873 . . . . 0.0 111.069 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.628 ' HG ' ' HE3' ' A' ' 20' ' ' TRP . 41.5 t -75.12 -25.99 58.86 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 122.675 0.39 . . . . 0.0 111.402 -179.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -65.81 -61.07 2.27 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 122.649 0.38 . . . . 0.0 111.359 178.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -66.83 -28.69 68.56 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.702 0.401 . . . . 0.0 110.644 -176.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -48.53 -43.61 35.52 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.574 1.15 . . . . 0.0 111.155 170.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -70.92 -23.71 62.31 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.884 -173.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 . . . . . 0 N--CA 1.475 0.785 0 C-N-CA 123.342 0.657 . . . . 0.0 110.065 175.971 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 tm? . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -64.0 -43.12 96.64 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.418 176.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -72.13 -31.72 66.26 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.304 0.242 . . . . 0.0 110.446 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.507 HD13 ' HG2' ' A' ' 10' ' ' LYS . 86.0 mt -62.72 -45.92 97.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.764 0.826 . . . . 0.0 110.471 177.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -77.96 -25.82 48.44 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.642 178.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -65.25 -53.64 41.31 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.451 0.7 . . . . 0.0 109.692 177.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -67.42 -42.66 82.86 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.005 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -61.62 -31.38 71.46 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.337 0.398 . . . . 0.0 111.519 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -72.56 -54.54 8.89 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.814 0.446 . . . . 0.0 111.066 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 pp -69.74 -26.81 64.5 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.221 0.326 . . . . 0.0 111.185 -177.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.488 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 54.9 mtpt -73.86 -40.53 63.19 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.907 0.483 . . . . 0.0 110.331 173.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 50.6 tpp -60.77 -34.38 74.38 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 123.608 0.568 . . . . 0.0 109.706 175.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -70.67 -48.74 53.31 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.604 175.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.488 ' HG2' ' HA ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.63 -34.4 75.69 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 117.865 0.302 . . . . 0.0 111.164 -173.293 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.9 -39.71 49.98 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.606 0.362 . . . . 0.0 110.72 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -69.33 -36.17 76.68 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.446 0.699 . . . . 0.0 110.481 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.3 t30 . . . . . 0 N--CA 1.474 0.767 0 C-N-CA 123.591 0.757 . . . . 0.0 109.842 177.14 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 69.4 m95 . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m -105.67 168.03 9.37 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 172.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.544 ' HA ' ' HB3' ' A' ' 6' ' ' MET . 33.3 mt-10 -65.12 -18.76 65.58 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -168.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -73.26 -54.8 7.52 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.594 0.758 . . . . 0.0 110.526 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.94 -30.23 68.64 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.422 0.689 . . . . 0.0 110.508 176.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.623 ' HG3' ' HZ ' ' A' ' 38' ' ' PHE . 35.8 ttm -63.93 -34.36 77.78 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.509 1.124 . . . . 0.0 110.901 173.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.08 -41.29 71.04 Favored Glycine 0 C--N 1.35 1.328 0 O-C-N 123.667 0.604 . . . . 0.0 112.446 176.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 m -65.99 -38.29 88.12 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.476 0.71 . . . . 0.0 110.353 177.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.9 -49.19 71.44 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.612 0.765 . . . . 0.0 109.92 177.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -51.25 -41.76 60.57 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.818 1.247 . . . . 0.0 111.317 175.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -62.22 -46.27 89.6 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.26 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.6 -30.3 77.53 Favored Glycine 0 C--N 1.343 0.954 0 O-C-N 123.207 0.317 . . . . 0.0 113.292 177.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.665 HD13 HD11 ' A' ' 48' ' ' LEU . 28.4 mt -79.09 -24.57 43.38 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 124.264 1.026 . . . . 0.0 110.456 178.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 tt -79.51 -31.56 42.22 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.226 1.01 . . . . 0.0 110.21 170.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -84.68 -63.77 1.28 Allowed 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.121 0.968 . . . . 0.0 111.35 -172.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -90.36 -46.67 8.23 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.416 1.086 . . . . 0.0 110.35 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.47 -154.97 16.55 Favored Glycine 0 C--O 1.236 0.277 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.949 -171.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -78.44 24.48 0.27 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.104 0.962 . . . . 0.0 113.347 -174.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.464 ' O ' HG12 ' A' ' 23' ' ' ILE . 48.7 t-20 -71.43 82.71 0.79 Allowed 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 168.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.413 ' HE3' ' SG ' ' A' ' 35' ' ' CYS . 53.4 m95 -61.0 -26.38 67.55 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.94 0.896 . . . . 0.0 111.352 -172.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.464 ' HA ' HG22 ' A' ' 32' ' ' VAL . 17.5 m -63.43 -48.43 77.8 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.714 0.806 . . . . 0.0 110.57 177.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.74 -36.36 80.42 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.317 0.647 . . . . 0.0 111.183 -178.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' ' 19' ' ' ASN . 9.1 mm -77.54 -44.6 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.932 -174.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.54 -21.13 64.57 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.648 0.779 . . . . 0.0 112.256 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.0 ttm-85 -77.5 -32.68 54.35 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 122.71 0.404 . . . . 0.0 110.427 172.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 62.6 ttp -77.28 -60.38 2.39 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.024 0.53 . . . . 0.0 111.059 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 23' ' ' ILE . 32.0 m -86.11 -41.7 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 123.413 0.685 . . . . 0.0 112.175 -173.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.79 -44.13 7.93 Favored Glycine 0 C--N 1.346 1.102 0 N-CA-C 111.842 -0.503 . . . . 0.0 111.842 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.3 m 60.54 14.77 5.11 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 125.195 1.398 . . . . 0.0 112.186 -171.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -126.7 -86.46 0.6 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.295 0.638 . . . . 0.0 111.324 -171.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.478 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 17.1 m -126.4 142.23 51.61 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.777 0.431 . . . . 0.0 110.716 -165.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.464 HG22 ' HA ' ' A' ' 21' ' ' SER . 62.8 t -67.67 -34.56 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 C-N-CA 123.799 0.84 . . . . 0.0 111.446 -178.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.8 t -57.77 -34.5 69.64 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.47 1.108 . . . . 0.0 113.099 -172.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 31' ' ' THR . 9.8 pt20 -71.73 -37.1 70.64 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -174.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.413 ' SG ' ' HE3' ' A' ' 20' ' ' TRP . 37.6 t -76.66 -31.14 57.11 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.22 -45.52 80.41 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.173 175.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -69.33 -35.05 75.54 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.779 0.831 . . . . 0.0 111.069 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.623 ' HZ ' ' HG3' ' A' ' 6' ' ' MET . 49.5 t80 -48.39 -40.96 27.48 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 125.453 1.501 . . . . 0.0 112.519 -175.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -55.89 -39.37 71.48 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 113.93 -1.486 . . . . 0.0 112.407 -173.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.4 p90 . . . . . 0 N--CA 1.48 1.054 0 C-N-CA 124.071 0.948 . . . . 0.0 111.572 -175.541 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.665 HD11 HD13 ' A' ' 13' ' ' LEU . 3.0 tm? . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.822 0.344 . . . . 0.0 110.16 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -59.19 -32.33 69.82 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.02 0.928 . . . . 0.0 111.616 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -64.49 -37.04 86.16 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.139 0.576 . . . . 0.0 111.358 176.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.558 HD13 ' HA ' ' A' ' 48' ' ' LEU . 2.1 mp -62.8 -31.65 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 C-N-CA 124.051 0.94 . . . . 0.0 110.12 -179.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -73.67 -37.03 65.4 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.455 176.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.545 ' HG3' HD23 ' A' ' 57' ' ' LEU . 25.1 tp60 -63.31 -40.68 97.99 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 173.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.728 ' HB3' ' HE2' ' A' ' 58' ' ' LYS . 87.7 mm-40 -63.57 -42.17 98.34 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.701 0.8 . . . . 0.0 110.629 176.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -53.12 -45.57 68.36 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.503 0.721 . . . . 0.0 110.909 174.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -69.19 -61.23 1.88 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.187 0.595 . . . . 0.0 111.262 -178.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.545 HD23 ' HG3' ' A' ' 53' ' ' GLN . 4.1 pp -64.81 -41.64 95.63 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 123.694 0.621 . . . . 0.0 112.193 -164.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.728 ' HE2' ' HB3' ' A' ' 54' ' ' GLN . 63.6 mttm -58.19 -59.96 4.5 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 123.783 0.677 . . . . 0.0 110.352 -174.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 70.5 mtm -70.53 -22.22 62.64 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.801 -174.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -77.13 -50.23 13.47 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.93 0.492 . . . . 0.0 110.855 -178.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -74.31 -37.9 63.49 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 122.999 0.52 . . . . 0.0 111.799 -173.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.03 -28.99 63.72 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.44 0.296 . . . . 0.0 110.417 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.2 ttp85 -71.09 -45.67 63.25 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.138 0.575 . . . . 0.0 109.894 176.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.8 t30 . . . . . 0 N--CA 1.476 0.842 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.575 177.674 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 91.8 m95 . . . . . 0 N--CA 1.479 1.011 0 CA-C-O 120.807 0.337 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.39 146.57 29.27 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 174.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.426 ' HA ' ' HB2' ' A' ' 6' ' ' MET . 45.1 mt-10 -58.81 -19.15 38.59 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -170.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -71.3 -49.24 44.78 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.508 0.723 . . . . 0.0 111.207 175.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -73.61 -29.58 62.46 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.07 0.462 . . . . 0.0 110.219 177.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.426 ' HB2' ' HA ' ' A' ' 3' ' ' GLU . 80.9 mtp -71.72 -23.1 61.57 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.79 0.836 . . . . 0.0 110.594 172.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.95 -31.81 54.69 Favored Glycine 0 C--N 1.347 1.153 0 O-C-N 123.85 0.719 . . . . 0.0 111.787 172.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.6 m -68.02 -38.03 82.1 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.213 0.605 . . . . 0.0 109.774 171.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.37 -47.24 77.07 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.546 174.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -56.04 -43.44 77.84 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.75 1.22 . . . . 0.0 110.88 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -75.59 -29.29 59.23 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.705 -176.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.95 -46.18 68.27 Favored Glycine 0 C--N 1.343 0.964 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 172.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.577 HD22 ' HG2' ' A' ' 18' ' ' ARG . 30.1 mt -67.47 -26.34 66.33 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.427 1.091 . . . . 0.0 110.481 178.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 tt -72.86 -60.25 2.32 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 174.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -71.61 -61.81 1.64 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.014 0.926 . . . . 0.0 111.258 -168.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -81.29 -30.61 33.93 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.102 -175.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.58 -174.06 22.45 Favored Glycine 0 N--CA 1.466 0.641 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.144 -176.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.577 ' HG2' HD22 ' A' ' 13' ' ' LEU . 41.7 mtm180 -83.2 43.48 0.88 Allowed 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 121.19 0.519 . . . . 0.0 112.179 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -82.04 95.8 7.54 Favored 'General case' 0 C--N 1.344 0.366 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 173.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.476 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 55.5 m95 -52.36 -36.97 55.05 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.271 1.428 . . . . 0.0 112.261 -170.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.3 m -60.55 -51.19 70.5 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.504 1.122 . . . . 0.0 110.984 178.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.92 -42.73 89.74 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.681 -176.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.444 HG13 HD23 ' A' ' 13' ' ' LEU . 22.2 mm -77.71 -38.28 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.814 -170.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.33 -20.86 61.41 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.271 175.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -83.08 -26.41 31.11 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 122.391 0.276 . . . . 0.0 110.814 168.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.1 ttt -76.5 -62.02 1.76 Allowed 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.189 0.596 . . . . 0.0 111.469 -176.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.4 m -86.96 -36.74 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 122.85 0.46 . . . . 0.0 111.401 177.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.23 -44.96 7.75 Favored Glycine 0 C--N 1.343 0.932 0 CA-C-N 116.046 -0.525 . . . . 0.0 113.111 -175.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.8 p 50.16 32.32 5.88 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.984 1.314 . . . . 0.0 112.883 -175.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -149.67 -75.34 0.16 Allowed 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -176.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.428 HG22 ' H ' ' A' ' 33' ' ' SER . 41.9 m -124.83 135.33 52.83 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.145 0.578 . . . . 0.0 111.353 -169.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.8 t -67.65 -28.79 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 C-N-CA 124.023 0.929 . . . . 0.0 111.264 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.428 ' H ' HG22 ' A' ' 31' ' ' THR . 22.7 m -59.66 -21.84 61.07 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.791 0.837 . . . . 0.0 112.563 176.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -63.63 -51.98 62.8 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 122.955 0.502 . . . . 0.0 111.594 -176.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.476 ' SG ' ' HB3' ' A' ' 20' ' ' TRP . 29.6 p -65.46 -35.66 81.58 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.095 0.558 . . . . 0.0 110.672 -178.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -58.65 -58.8 6.99 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.039 0.936 . . . . 0.0 111.471 176.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -69.18 -30.2 68.35 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.454 -175.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -69.33 -36.65 77.14 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 122.715 0.406 . . . . 0.0 110.44 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.451 ' HE1' HD12 ' A' ' 48' ' ' LEU . 35.3 t80 -60.44 -43.93 96.32 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -167.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 . . . . . 0 N--CA 1.483 1.182 0 C-N-CA 123.297 0.639 . . . . 0.0 111.922 -174.598 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.451 HD12 ' HE1' ' A' ' 39' ' ' TYR . 3.3 tm? . . . . . 0 CA--C 1.553 1.075 0 CA-C-O 120.647 0.261 . . . . 0.0 110.386 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -61.5 -35.7 78.43 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.732 0.813 . . . . 0.0 111.845 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -64.87 -37.63 88.28 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 123.708 0.63 . . . . 0.0 110.344 178.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 48' ' ' LEU . 62.1 mt -65.41 -36.57 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 123.809 0.844 . . . . 0.0 110.61 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.427 HD23 HD13 ' A' ' 48' ' ' LEU . 3.8 mm? -68.18 -43.41 78.21 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.83 173.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -62.5 -42.27 99.39 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.833 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -63.28 -54.59 34.79 Favored 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 123.877 0.871 . . . . 0.0 110.596 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -55.14 -39.72 69.76 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.104 0.562 . . . . 0.0 111.546 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -62.54 -53.93 47.34 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.332 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.01 -28.33 62.3 Favored 'General case' 0 C--O 1.214 -0.791 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.662 -174.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.457 ' HA ' ' HE2' ' A' ' 61' ' ' LYS . 25.6 mtpp -67.92 -55.65 12.0 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.462 0.705 . . . . 0.0 111.18 -176.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -28.09 69.15 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.167 0.587 . . . . 0.0 111.954 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -82.24 -46.8 13.22 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.83 0.452 . . . . 0.0 111.647 -178.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.457 ' HE2' ' HA ' ' A' ' 58' ' ' LYS . 63.9 pttt -68.59 -37.7 80.06 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.022 0.529 . . . . 0.0 110.398 -174.173 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -71.22 -36.09 71.73 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -59.84 -45.54 92.1 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 124.276 0.985 . . . . 0.0 109.381 177.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 . . . . . 0 CA--C 1.539 0.554 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.087 178.662 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 96.9 m95 . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.7 m -86.18 166.33 15.83 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 171.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.45 ' HA ' ' HB2' ' A' ' 6' ' ' MET . 52.7 mt-10 -61.16 -20.0 62.21 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -169.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -65.82 -54.54 25.44 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 118.282 0.492 . . . . 0.0 110.57 175.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -75.92 -28.42 58.0 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.518 0.727 . . . . 0.0 110.964 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.45 ' HB2' ' HA ' ' A' ' 3' ' ' GLU . 15.0 mmt -55.19 -47.3 75.44 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 166.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.26 -37.03 86.08 Favored Glycine 0 C--N 1.347 1.165 0 CA-C-N 114.586 -1.188 . . . . 0.0 113.56 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.7 m -71.35 -38.13 71.64 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.181 0.593 . . . . 0.0 110.716 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.65 -35.21 60.48 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.078 0.551 . . . . 0.0 110.468 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -61.37 -42.14 98.22 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.72 0.808 . . . . 0.0 110.389 172.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -68.33 -36.49 79.35 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.069 -0.968 . . . . 0.0 109.872 177.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.99 -42.82 96.61 Favored Glycine 0 C--N 1.344 1.015 0 CA-C-N 116.169 -0.468 . . . . 0.0 112.75 177.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.9 mt -70.4 -25.38 63.21 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.962 0.905 . . . . 0.0 110.326 176.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.3 tp -76.28 -25.19 54.64 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 123.84 0.856 . . . . 0.0 111.766 173.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -106.17 -63.39 1.27 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.829 -0.545 . . . . 0.0 112.166 -177.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -73.42 -28.59 62.07 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.82 0.848 . . . . 0.0 110.896 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.18 -162.5 20.0 Favored Glycine 0 C--N 1.343 0.955 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.699 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.474 ' NE ' ' HG ' ' A' ' 52' ' ' LEU . 11.4 tpp180 -76.14 9.94 2.24 Favored 'General case' 0 CA--C 1.568 1.637 0 C-N-CA 123.992 0.917 . . . . 0.0 111.861 -174.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.484 ' O ' HG12 ' A' ' 23' ' ' ILE . 45.9 m-80 -66.31 94.67 0.27 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.89 0.876 . . . . 0.0 110.55 178.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -60.12 -31.79 70.39 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.804 0.841 . . . . 0.0 112.093 -174.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.2 t -68.23 -40.48 82.02 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.64 0.776 . . . . 0.0 110.873 177.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.9 -39.41 76.24 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.243 0.617 . . . . 0.0 111.069 -177.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.598 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 18.3 mm -74.73 -37.08 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.38 -179.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.3 -32.85 72.7 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.866 0.866 . . . . 0.0 111.646 175.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.3 ttt85 -77.45 -39.19 47.61 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.748 0.819 . . . . 0.0 110.32 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.5 ttt -69.43 -61.39 1.81 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.064 0.546 . . . . 0.0 111.741 -173.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' ' 23' ' ' ILE . 33.0 m -88.52 -40.94 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 122.799 0.439 . . . . 0.0 112.117 -177.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.05 -45.53 7.54 Favored Glycine 0 C--N 1.345 1.037 0 O-C-N 123.581 0.551 . . . . 0.0 112.744 -175.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.4 t 56.59 23.14 7.36 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 124.997 1.319 . . . . 0.0 111.54 -172.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -135.42 -77.66 0.44 Allowed 'General case' 0 C--N 1.361 1.073 0 C-N-CA 123.512 0.725 . . . . 0.0 111.485 -173.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.455 HG22 ' H ' ' A' ' 33' ' ' SER . 16.5 m -136.26 143.91 44.52 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.714 0.406 . . . . 0.0 110.92 -163.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.8 t -66.88 -33.39 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 123.676 0.79 . . . . 0.0 110.766 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.455 ' H ' HG22 ' A' ' 31' ' ' THR . 25.2 t -56.41 -38.24 71.26 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.081 0.952 . . . . 0.0 110.983 175.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -59.74 -43.85 94.07 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 124.008 0.923 . . . . 0.0 110.961 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.598 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 42.3 t -75.82 -28.75 58.4 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.222 0.609 . . . . 0.0 111.705 178.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -67.59 -52.8 34.27 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.065 0.546 . . . . 0.0 110.581 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -71.64 -21.19 61.86 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.424 0.689 . . . . 0.0 111.093 -177.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.422 ' HE1' ' HA ' ' A' ' 6' ' ' MET . 21.4 t80 -50.41 -47.46 56.54 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.675 0.79 . . . . 0.0 111.137 171.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -72.93 -31.59 64.72 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.382 -169.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 . . . . . 0 N--CA 1.475 0.823 0 C-N-CA 123.405 0.682 . . . . 0.0 110.637 179.037 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.424 HD13 ' O ' ' A' ' 48' ' ' LEU . 3.2 tm? . . . . . 0 N--CA 1.474 0.755 0 CA-C-O 119.702 -0.189 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -58.31 -43.85 88.35 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.798 0.439 . . . . 0.0 111.568 -173.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.473 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 32.7 tt0 -69.96 -40.63 75.3 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 123.51 0.506 . . . . 0.0 110.224 176.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 48' ' ' LEU . 96.5 mt -55.76 -33.56 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 C-N-CA 124.262 1.025 . . . . 0.0 111.316 177.367 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.474 ' HG ' ' NE ' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -70.46 -40.73 73.51 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.727 0.811 . . . . 0.0 109.466 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.57 HE21 HD23 ' A' ' 57' ' ' LEU . 49.9 tp60 -64.51 -38.09 89.81 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.075 174.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 10.6 mm-40 -63.48 -46.63 85.29 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -53.62 -42.98 68.31 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.117 0.967 . . . . 0.0 111.365 176.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -62.62 -60.84 2.96 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.337 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.57 HD23 HE21 ' A' ' 53' ' ' GLN . 4.4 pp -68.54 -29.14 67.64 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 123.643 0.589 . . . . 0.0 112.45 -171.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -62.49 -52.26 64.21 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.468 0.707 . . . . 0.0 110.61 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 50.4 ttm -74.84 -31.79 61.75 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.283 -178.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.92 -46.29 75.26 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.353 0.661 . . . . 0.0 111.571 -178.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -72.58 -37.74 68.08 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 122.824 0.45 . . . . 0.0 111.145 -176.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -68.58 -36.71 79.1 Favored 'General case' 0 C--O 1.21 -1.023 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -71.08 -32.44 69.08 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.404 0.681 . . . . 0.0 111.042 177.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.0 t30 . . . . . 0 CA--C 1.548 0.884 0 C-N-CA 122.821 0.448 . . . . 0.0 110.365 176.001 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 84.3 m95 . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.1 m -91.67 157.88 16.7 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.574 0.75 . . . . 0.0 109.343 175.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -49.71 -21.37 1.05 Allowed 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 -173.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -75.66 -54.07 7.55 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.291 0.636 . . . . 0.0 110.954 -177.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -74.06 -29.18 61.76 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.388 0.675 . . . . 0.0 110.249 176.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 51.8 ttm -71.68 -28.88 64.02 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.361 1.064 . . . . 0.0 110.057 175.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.46 -30.16 62.79 Favored Glycine 0 C--N 1.352 1.428 0 O-C-N 123.568 0.543 . . . . 0.0 111.76 172.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.7 m -72.7 -31.72 65.22 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.341 0.656 . . . . 0.0 109.802 173.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.58 ' HA ' HG11 ' A' ' 27' ' ' VAL . . . -74.34 -37.76 63.45 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.73 0.812 . . . . 0.0 110.321 176.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.528 ' HG3' HD13 ' A' ' 51' ' ' ILE . 77.4 tttt -60.3 -54.66 43.08 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.317 1.047 . . . . 0.0 110.018 175.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -68.45 -28.33 66.96 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.642 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.02 -47.08 91.64 Favored Glycine 0 C--N 1.343 0.927 0 N-CA-C 112.148 -0.381 . . . . 0.0 112.148 175.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.564 HD22 ' HG2' ' A' ' 18' ' ' ARG . 90.2 mt -68.95 -29.06 67.22 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.684 0.793 . . . . 0.0 110.59 178.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 tt -70.01 -43.5 71.23 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.888 0.875 . . . . 0.0 109.941 174.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -77.94 -54.69 6.02 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.552 0.741 . . . . 0.0 110.773 -170.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -90.57 -8.45 50.18 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 115.091 -0.958 . . . . 0.0 112.11 -171.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 69.66 43.48 67.63 Favored Glycine 0 CA--C 1.537 1.467 0 O-C-N 123.098 0.249 . . . . 0.0 113.336 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.564 ' HG2' HD22 ' A' ' 13' ' ' LEU . 68.5 mtm180 59.85 24.38 13.4 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 124.62 1.168 . . . . 0.0 113.633 178.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.476 ' O ' HG12 ' A' ' 23' ' ' ILE . 35.2 t30 -69.99 92.91 0.75 Allowed 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 169.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -59.71 -26.97 66.05 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.898 0.879 . . . . 0.0 112.668 -166.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.6 m -59.97 -46.72 88.51 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.514 0.725 . . . . 0.0 110.506 174.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.98 -38.3 66.73 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.799 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 19' ' ' ASN . 22.5 mm -70.44 -52.69 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 122.853 0.461 . . . . 0.0 110.096 -174.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.83 -22.05 66.52 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.281 0.632 . . . . 0.0 111.701 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -79.78 -38.6 32.79 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.085 0.554 . . . . 0.0 109.544 174.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.0 ttt -74.96 -62.29 1.59 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.874 0.869 . . . . 0.0 111.266 -175.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.58 HG11 ' HA ' ' A' ' 9' ' ' ALA . 6.2 m -89.72 -35.4 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.018 0.927 . . . . 0.0 112.554 -174.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.82 -40.18 9.77 Favored Glycine 0 C--N 1.345 1.057 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.866 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.1 t 60.79 31.89 20.11 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 124.952 1.301 . . . . 0.0 110.914 -171.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.421 ' HG3' ' H ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -151.9 -177.04 5.9 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.866 0.866 . . . . 0.0 109.515 -174.061 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.421 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 87.7 m -50.3 153.73 1.43 Allowed 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 125.252 1.421 . . . . 0.0 113.031 174.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.3 t -44.81 -39.0 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 125.286 1.434 . . . . 0.0 112.726 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.3 m -49.78 -37.85 31.65 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.848 1.259 . . . . 0.0 113.545 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -56.93 -51.3 69.68 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.382 0.673 . . . . 0.0 111.876 -177.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 48.9 t -83.26 -32.35 26.47 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 122.798 0.439 . . . . 0.0 111.622 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -50.24 70.24 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.631 0.772 . . . . 0.0 109.341 -173.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -60.95 -47.78 84.85 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 123.756 0.66 . . . . 0.0 110.559 176.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -49.3 -39.07 29.66 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 124.425 1.078 . . . . 0.0 111.88 -176.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -53.23 -35.81 60.36 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.688 1.195 . . . . 0.0 112.959 -172.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 46.5 p90 . . . . . 0 N--CA 1.48 1.047 0 C-N-CA 123.693 0.797 . . . . 0.0 111.434 179.843 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.464 HD13 HD23 ' A' ' 52' ' ' LEU . 2.9 tm? . . . . . 0 CA--C 1.55 0.965 0 CA-C-O 120.379 0.133 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.11 -46.07 79.24 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.512 0.725 . . . . 0.0 110.815 173.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.535 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 31.8 tt0 -70.51 -30.31 67.05 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.827 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.528 HD13 ' HG3' ' A' ' 10' ' ' LYS . 82.9 mt -64.76 -31.51 54.08 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.137 0 C-N-CA 123.705 0.802 . . . . 0.0 110.42 177.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.464 HD23 HD13 ' A' ' 48' ' ' LEU . 4.3 mm? -79.84 -26.63 40.36 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.402 0.681 . . . . 0.0 111.45 174.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.468 ' HG3' HD23 ' A' ' 57' ' ' LEU . 22.6 tp60 -65.82 -35.22 80.07 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 168.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 73.6 mm-40 -67.5 -37.05 82.24 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.012 0.525 . . . . 0.0 110.387 176.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -57.3 -36.68 71.39 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.59 0.756 . . . . 0.0 111.218 174.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -71.46 -62.26 1.47 Allowed 'General case' 0 C--O 1.242 0.658 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.311 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.468 HD23 ' HG3' ' A' ' 53' ' ' GLN . 3.7 pp -74.31 -41.57 60.93 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.941 -161.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -63.17 -24.22 67.79 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 123.216 0.606 . . . . 0.0 112.591 -175.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 45.7 ttm -83.01 -48.03 11.07 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.198 0.599 . . . . 0.0 110.592 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -83.17 -22.04 33.36 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.848 0.859 . . . . 0.0 112.705 -172.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -71.07 -50.47 33.48 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.639 0.776 . . . . 0.0 109.941 -176.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -66.55 -33.53 75.87 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.468 174.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -68.09 -39.28 82.93 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.086 0.954 . . . . 0.0 110.519 -177.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 . . . . . 0 N--CA 1.473 0.716 0 C-N-CA 123.31 0.644 . . . . 0.0 109.827 176.034 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 17.4 m95 . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.2 m -67.44 146.58 53.86 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.295 0.638 . . . . 0.0 109.693 175.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.482 ' HA ' ' HB2' ' A' ' 6' ' ' MET . 46.4 mt-10 -54.96 -20.2 8.49 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -175.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -67.25 -54.06 24.35 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.619 0.768 . . . . 0.0 110.766 175.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -73.73 -27.49 61.21 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.315 0.646 . . . . 0.0 110.944 178.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.482 ' HB2' ' HA ' ' A' ' 3' ' ' GLU . 0.6 OUTLIER -64.87 -33.77 76.81 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.268 0.627 . . . . 0.0 109.968 170.072 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.4 -30.33 62.64 Favored Glycine 0 C--N 1.352 1.424 0 O-C-N 123.631 0.582 . . . . 0.0 112.364 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.5 m -76.76 -30.44 56.55 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.555 0.742 . . . . 0.0 109.98 174.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.05 -30.84 50.0 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.675 0.79 . . . . 0.0 110.233 175.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -67.19 -45.96 75.36 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 173.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -62.32 -42.62 99.53 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.112 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.9 -55.74 22.72 Favored Glycine 0 C--N 1.343 0.963 0 O-C-N 123.535 0.522 . . . . 0.0 112.6 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.5 mt -64.86 -24.15 67.45 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.861 0.864 . . . . 0.0 111.86 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 tt -73.89 -59.15 2.85 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 172.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -69.44 -60.88 2.04 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.702 0.801 . . . . 0.0 112.2 -170.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -80.11 -12.82 59.63 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.596 0.758 . . . . 0.0 111.406 -176.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.36 -149.15 33.45 Favored Glycine 0 C--N 1.343 0.964 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 -175.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -94.64 22.17 6.56 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.157 0.583 . . . . 0.0 111.304 -176.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.477 ' O ' HG12 ' A' ' 23' ' ' ILE . 28.3 t-20 -72.9 95.38 1.95 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 175.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.411 ' HE3' ' HG ' ' A' ' 35' ' ' CYS . 28.0 m95 -57.78 -27.86 63.45 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.956 0.902 . . . . 0.0 112.229 -171.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.472 ' HA ' HG22 ' A' ' 32' ' ' VAL . 19.2 m -64.53 -49.17 72.3 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.594 0.757 . . . . 0.0 111.03 177.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.06 -41.86 85.72 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.944 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 19' ' ' ASN . 18.7 mm -67.72 -49.22 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.646 -177.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 31' ' ' THR . . . -68.67 -19.42 64.39 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.526 0.731 . . . . 0.0 112.53 -178.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -83.22 -31.93 26.77 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 122.91 0.484 . . . . 0.0 110.724 171.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.0 ttt -77.95 -62.35 1.7 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.678 0.791 . . . . 0.0 111.426 -177.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 23' ' ' ILE . 25.6 m -87.67 -40.27 13.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 C-N-CA 123.887 0.875 . . . . 0.0 112.1 -177.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.33 -39.26 12.86 Favored Glycine 0 C--N 1.352 1.462 0 CA-C-N 116.336 -0.393 . . . . 0.0 112.585 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.3 t 62.83 27.0 15.86 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 125.62 1.568 . . . . 0.0 112.778 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.9 -74.28 0.17 Allowed 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -177.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.418 ' O ' ' HB1' ' A' ' 24' ' ' ALA . 97.6 m -129.31 137.94 51.31 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.486 0.714 . . . . 0.0 111.57 -165.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.472 HG22 ' HA ' ' A' ' 21' ' ' SER . 51.6 t -60.78 -36.07 68.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 C-N-CA 124.332 1.053 . . . . 0.0 111.404 -177.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 63.0 m -60.61 -23.93 65.1 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.992 0.917 . . . . 0.0 112.53 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -61.12 -53.1 61.25 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 118.189 0.449 . . . . 0.0 110.611 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.411 ' HG ' ' HE3' ' A' ' 20' ' ' TRP . 52.8 t -72.16 -27.74 62.78 Favored 'General case' 0 N--CA 1.484 1.247 0 O-C-N 123.659 0.6 . . . . 0.0 111.267 -177.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.75 -51.01 54.16 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -72.99 -34.98 66.77 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.596 0.758 . . . . 0.0 110.404 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -51.16 -37.78 48.33 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 124.969 1.308 . . . . 0.0 111.04 170.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -72.2 -17.19 61.94 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.809 -175.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -92.71 -28.71 16.46 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.52 0.728 . . . . 0.0 111.329 176.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -75.49 -51.92 11.87 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -94.06 35.76 1.15 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.583 1.153 . . . . 0.0 110.223 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -68.89 90.03 0.42 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.309 1.044 . . . . 0.0 110.117 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -139.47 89.22 2.31 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.671 ' HD3' ' H ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -87.04 51.42 2.24 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-O 122.601 1.191 . . . . 0.0 110.392 -177.187 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -120.32 -66.1 1.09 Allowed 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 175.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -71.17 -55.93 7.14 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.948 -1.023 . . . . 0.0 110.168 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.5 -33.82 74.8 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.346 0.658 . . . . 0.0 111.248 -174.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.42 -43.33 96.86 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.316 0.646 . . . . 0.0 110.469 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -69.88 -37.17 75.96 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.825 -1.079 . . . . 0.0 110.947 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 86.0 mt -57.14 -43.88 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 C-N-CA 123.227 0.611 . . . . 0.0 110.563 177.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.41 -36.66 60.78 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.016 -178.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -68.93 -41.81 77.59 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 123.311 0.382 . . . . 0.0 110.249 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -65.29 -42.95 92.59 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.315 175.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -55.47 -39.23 70.12 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.093 0.557 . . . . 0.0 110.846 174.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -64.38 -61.96 1.9 Allowed 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.375 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 pp -71.44 -34.89 70.69 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -167.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.451 ' HA ' ' HE2' ' A' ' 61' ' ' LYS . 95.1 mttt -62.83 -51.75 65.83 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 123.143 0.577 . . . . 0.0 110.939 -177.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 48.8 tpp -69.46 -41.6 76.01 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.527 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -65.07 -44.76 87.87 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.785 0.834 . . . . 0.0 111.795 -172.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.451 ' HE2' ' HA ' ' A' ' 58' ' ' LYS . 63.3 pttt -65.51 -45.08 84.94 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 123.689 0.618 . . . . 0.0 111.014 -174.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -77.04 -27.57 54.51 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.991 0.516 . . . . 0.0 110.457 -176.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' A' ' 67' ' ' ARG . 49.9 ttp180 -66.32 -37.57 85.68 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.846 0.858 . . . . 0.0 110.04 177.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.15 -40.94 43.72 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.289 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.418 ' O ' ' HD2' ' A' ' 68' ' ' LYS . . . -68.99 -22.37 64.09 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.829 0.852 . . . . 0.0 112.24 -177.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -89.2 -12.77 39.94 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.406 0.282 . . . . 0.0 110.935 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 63' ' ' ARG . 17.5 mmm180 -99.49 38.93 1.35 Allowed 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 121.756 0.788 . . . . 0.0 110.614 175.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.418 ' HD2' ' O ' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -74.99 5.25 5.38 Favored 'General case' 0 CA--C 1.558 1.262 0 CA-C-N 114.475 -1.239 . . . . 0.0 111.124 168.458 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -72.37 70.52 0.87 Allowed 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 124.581 1.152 . . . . 0.0 110.039 171.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -167.71 122.62 1.01 Allowed 'General case' 0 C--O 1.242 0.659 0 C-N-CA 125.045 1.338 . . . . 0.0 107.561 -175.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.402 ' HB3' ' NZ ' ' A' ' 71' ' ' LYS . 1.7 ttpm? . . . . . 0 C--O 1.251 1.136 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 177.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 76.0 m95 . . . . . 0 N--CA 1.472 0.656 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.6 m -74.8 155.43 37.6 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.197 0.999 . . . . 0.0 109.891 173.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -53.9 -22.81 10.83 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -178.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -72.86 -55.76 6.19 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 122.708 0.403 . . . . 0.0 110.33 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -71.78 -30.08 65.17 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.197 0.599 . . . . 0.0 110.961 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 28.3 ttm -71.98 -39.97 68.93 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.57 0.748 . . . . 0.0 110.037 177.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.08 -31.24 69.4 Favored Glycine 0 C--N 1.346 1.127 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.738 176.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.0 m -75.55 -32.21 60.34 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.759 0.824 . . . . 0.0 110.268 175.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.25 -50.68 59.63 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.552 0.741 . . . . 0.0 109.369 175.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -56.53 -45.03 81.34 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.122 1.369 . . . . 0.0 110.422 176.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -62.4 -39.75 94.28 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.87 0.868 . . . . 0.0 110.191 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.0 -36.83 86.89 Favored Glycine 0 C--N 1.344 0.991 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.869 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.557 HD13 HD11 ' A' ' 48' ' ' LEU . 18.6 mt -72.36 -34.47 68.02 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.916 0.886 . . . . 0.0 110.169 177.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.1 tp -74.86 -23.45 58.41 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.344 1.058 . . . . 0.0 110.826 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -106.94 -63.78 1.25 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.07 0.548 . . . . 0.0 111.305 -174.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -74.59 -48.75 24.78 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.702 0.801 . . . . 0.0 110.323 -176.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.4 -161.89 21.46 Favored Glycine 0 C--N 1.343 0.945 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.321 -177.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -84.59 9.15 14.44 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.753 1.221 . . . . 0.0 111.525 -172.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.447 ' O ' HG12 ' A' ' 23' ' ' ILE . 86.1 m-20 -66.74 94.43 0.3 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.929 0.892 . . . . 0.0 109.519 177.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.493 ' HE3' ' SG ' ' A' ' 35' ' ' CYS . 50.5 m95 -61.17 -21.75 64.09 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.615 0.766 . . . . 0.0 111.876 -174.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.409 ' HA ' HG22 ' A' ' 32' ' ' VAL . 23.5 t -71.31 -43.3 67.34 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.926 0.89 . . . . 0.0 110.281 178.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.23 -41.7 94.14 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.39 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.591 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 18.1 mm -71.82 -40.59 69.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.05 -177.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.29 -38.47 91.29 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.383 0.673 . . . . 0.0 111.352 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.407 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 63.9 ttt180 -77.4 -30.9 53.78 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.622 176.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.0 ttt -66.9 -58.1 5.66 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.95 0.5 . . . . 0.0 111.003 -177.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 23' ' ' ILE . 35.0 m -87.5 -48.71 15.15 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -177.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.25 -37.92 11.78 Favored Glycine 0 C--N 1.343 0.941 0 O-C-N 123.441 0.463 . . . . 0.0 113.355 -176.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 25' ' ' ARG . 10.3 t 60.4 30.45 19.81 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.052 1.341 . . . . 0.0 109.861 -164.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.479 ' HG2' ' H ' ' A' ' 31' ' ' THR . 38.2 ttmt -130.69 176.51 8.13 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.315 1.046 . . . . 0.0 109.492 -172.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.479 ' H ' ' HG2' ' A' ' 30' ' ' LYS . 18.2 m -49.07 151.31 1.34 Allowed 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 125.364 1.466 . . . . 0.0 113.297 178.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.409 HG22 ' HA ' ' A' ' 21' ' ' SER . 52.1 t -51.0 -29.49 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 C-N-CA 124.909 1.284 . . . . 0.0 112.222 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.7 m -47.64 -40.68 20.3 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.21 1.404 . . . . 0.0 112.859 178.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -65.39 -44.33 87.87 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 122.571 0.348 . . . . 0.0 111.8 -175.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.591 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 53.8 t -79.13 -36.0 41.23 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.757 0.423 . . . . 0.0 111.508 -177.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -60.45 -51.7 68.35 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.091 0.556 . . . . 0.0 109.607 174.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -40.41 89.36 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.516 178.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -47.0 -38.33 10.61 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 124.258 1.023 . . . . 0.0 111.977 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -55.96 -47.01 78.41 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 124.773 1.296 . . . . 0.0 110.813 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -111.12 7.78 21.49 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.673 0.789 . . . . 0.0 112.519 -177.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -98.09 -65.85 0.94 Allowed 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.056 0.542 . . . . 0.0 110.955 -175.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -73.68 -76.73 0.12 Allowed 'General case' 0 C--N 1.354 0.778 0 O-C-N 123.554 0.534 . . . . 0.0 110.455 -172.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -177.17 170.75 2.15 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.799 0.84 . . . . 0.0 109.167 -173.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp 68.68 28.85 5.54 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 125.124 1.37 . . . . 0.0 111.888 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -60.94 136.76 58.18 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.2 173.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 77.59 -41.05 0.34 Allowed 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 125.905 1.682 . . . . 0.0 111.657 -177.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -68.49 -27.68 66.35 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.511 0.724 . . . . 0.0 111.003 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.557 HD11 HD13 ' A' ' 13' ' ' LEU . 3.0 tm? -62.62 -23.05 66.86 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.932 0.893 . . . . 0.0 110.899 178.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -55.69 -34.1 64.74 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.358 0.663 . . . . 0.0 111.451 175.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -60.82 -33.7 73.42 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.383 0.673 . . . . 0.0 112.197 -175.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.1 mp -64.28 -39.31 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.407 HD21 HD22 ' A' ' 13' ' ' LEU . 3.7 mm? -79.41 -28.38 41.8 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.987 0.915 . . . . 0.0 111.568 177.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -71.11 -43.97 66.6 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.947 0.899 . . . . 0.0 109.469 -176.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -69.65 -41.24 75.81 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.898 0.879 . . . . 0.0 109.903 175.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -57.74 -31.83 66.84 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.622 0.769 . . . . 0.0 111.085 175.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -78.94 -61.84 1.89 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.637 0.775 . . . . 0.0 111.24 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 pp -66.92 -35.95 81.14 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.16 0.584 . . . . 0.0 112.276 -167.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -67.68 -39.72 84.47 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.187 0.595 . . . . 0.0 111.004 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 46.5 tpp -68.57 -41.16 80.1 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.974 -176.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -74.62 -38.42 62.57 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.486 0.715 . . . . 0.0 112.153 -175.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -70.53 -40.69 73.29 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 111.399 0.148 . . . . 0.0 111.399 -175.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -71.33 -32.11 68.19 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.502 0.321 . . . . 0.0 110.152 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -59.4 -48.36 81.92 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.211 1.004 . . . . 0.0 110.342 -177.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -57.66 -48.39 79.63 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 123.687 0.617 . . . . 0.0 110.391 176.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.75 -38.15 90.04 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.157 -0.929 . . . . 0.0 112.369 -175.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -87.75 -8.04 56.55 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.26 0.624 . . . . 0.0 111.744 -176.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -97.5 -19.77 18.17 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.069 0.548 . . . . 0.0 110.821 172.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -90.21 141.73 28.42 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 122.994 0.518 . . . . 0.0 109.943 173.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -156.46 118.48 3.95 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 124.205 1.002 . . . . 0.0 108.461 175.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -148.75 177.3 9.64 Favored 'General case' 0 C--O 1.243 0.721 0 C-N-CA 123.862 0.865 . . . . 0.0 109.657 -177.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.255 1.355 0 C-N-CA 123.172 0.589 . . . . 0.0 110.963 172.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 49.1 m95 . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.587 0.232 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.4 m -73.31 150.15 42.11 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.734 0.814 . . . . 0.0 109.894 174.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -57.4 -21.87 39.15 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.561 0.745 . . . . 0.0 112.52 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -70.07 -53.29 18.1 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.722 0.809 . . . . 0.0 111.054 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -69.79 -28.85 66.08 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.056 0.542 . . . . 0.0 110.819 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 89.3 mtp -73.51 -22.9 59.99 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.221 0.608 . . . . 0.0 111.139 174.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.6 -37.12 62.06 Favored Glycine 0 C--N 1.345 1.068 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 168.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.5 m -70.13 -32.58 70.65 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.61 0.764 . . . . 0.0 110.621 173.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' HA ' HG11 ' A' ' 27' ' ' VAL . . . -71.21 -45.54 63.15 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.409 0.684 . . . . 0.0 109.741 177.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 4.8 tmtm? -55.91 -42.82 76.64 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.052 174.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.85 -44.61 80.58 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.182 0.993 . . . . 0.0 111.214 178.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.84 -44.45 91.99 Favored Glycine 0 C--N 1.342 0.888 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.489 -177.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.7 mt -71.73 -22.86 61.56 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.363 1.065 . . . . 0.0 110.54 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 10' ' ' LYS . 4.2 tt -75.7 -32.03 59.93 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.928 0.891 . . . . 0.0 110.822 171.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -97.14 -63.3 1.15 Allowed 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 120.869 0.366 . . . . 0.0 111.979 -174.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.403 ' HB2' HD11 ' A' ' 23' ' ' ILE . 36.5 m-70 -78.35 -24.51 46.44 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.742 0.817 . . . . 0.0 111.061 -178.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.4 -162.31 31.9 Favored Glycine 0 C--N 1.344 0.991 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.879 -173.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 -80.55 22.67 0.56 Allowed 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 117.891 0.846 . . . . 0.0 112.094 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.458 ' O ' HG12 ' A' ' 23' ' ' ILE . 42.2 t30 -69.63 92.38 0.65 Allowed 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 175.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 35.8 m95 -60.61 -24.24 65.34 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.762 0.825 . . . . 0.0 112.318 -171.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.485 ' HA ' HG22 ' A' ' 32' ' ' VAL . 23.6 t -61.26 -53.98 49.94 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 123.545 0.528 . . . . 0.0 109.813 173.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.47 -41.34 89.16 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.264 0.626 . . . . 0.0 112.032 -176.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 19' ' ' ASN . 23.1 mm -74.68 -37.18 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.608 -173.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.45 -20.62 62.07 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 21' ' ' SER . 75.2 mtp180 -78.48 -37.51 43.19 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 169.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.2 ttt -76.84 -63.85 1.26 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.434 0.694 . . . . 0.0 111.949 -173.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.433 HG11 ' HA ' ' A' ' 9' ' ' ALA . 18.8 m -87.25 -39.44 13.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 123.258 0.623 . . . . 0.0 111.445 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.94 -41.31 33.22 Favored Glycine 0 C--N 1.348 1.248 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.67 -174.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.0 t 60.09 26.6 15.97 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.426 1.09 . . . . 0.0 111.415 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.538 ' HD2' HE21 ' A' ' 34' ' ' GLN . 24.8 ttmm -143.38 -91.27 0.12 Allowed 'General case' 0 CA--C 1.555 1.164 0 O-C-N 122.192 -0.317 . . . . 0.0 111.486 -171.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 84.9 m -138.69 149.66 45.35 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.521 0.728 . . . . 0.0 110.35 -168.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.485 HG22 ' HA ' ' A' ' 21' ' ' SER . 53.7 t -52.08 -36.41 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 C-N-CA 124.622 1.169 . . . . 0.0 111.863 -177.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.6 t -61.46 -27.54 68.64 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.318 1.047 . . . . 0.0 112.654 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.538 HE21 ' HD2' ' A' ' 30' ' ' LYS . 5.9 tp-100 -62.14 -50.31 72.4 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.535 0.734 . . . . 0.0 111.379 -175.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.2 t -82.14 -26.42 33.52 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.367 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.05 -56.72 17.72 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 175.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -63.47 -29.63 70.88 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.176 0.991 . . . . 0.0 111.715 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -57.19 -39.02 74.52 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.453 0.701 . . . . 0.0 110.992 174.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -68.27 -17.95 64.41 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 121.074 0.464 . . . . 0.0 111.216 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -113.71 16.15 18.62 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.994 0.918 . . . . 0.0 110.567 177.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -128.62 -24.62 2.99 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.085 0.554 . . . . 0.0 111.235 -176.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.9 p90 -73.66 163.84 27.45 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 174.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.29 132.06 43.0 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 122.924 0.49 . . . . 0.0 110.987 -177.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -66.67 86.7 0.12 Allowed 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -158.5 106.99 1.94 Allowed 'General case' 0 C--O 1.24 0.604 0 N-CA-C 105.708 -1.96 . . . . 0.0 105.708 -172.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -65.32 114.08 4.51 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -138.03 -49.67 0.57 Allowed 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.455 ' HA ' HD13 ' A' ' 51' ' ' ILE . 2.4 tm? -62.81 -25.55 68.3 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 114.56 -1.2 . . . . 0.0 111.485 -177.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -59.17 -36.9 76.12 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 123.943 0.897 . . . . 0.0 111.575 175.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -71.67 -35.63 70.38 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.044 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.455 HD13 ' HA ' ' A' ' 48' ' ' LEU . 1.8 mp -59.52 -39.17 78.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 C-N-CA 123.046 0.539 . . . . 0.0 110.129 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.57 -34.33 69.87 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.47 0.708 . . . . 0.0 111.72 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.457 ' HG3' HD23 ' A' ' 57' ' ' LEU . 23.7 tp60 -62.77 -44.1 97.08 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.042 0.537 . . . . 0.0 110.213 174.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -67.29 -38.88 85.76 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.606 0.762 . . . . 0.0 110.648 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -57.09 -39.42 74.98 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.898 0.879 . . . . 0.0 110.918 176.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -75.63 -59.79 2.6 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.331 178.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.469 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 4.3 pp -64.68 -35.74 82.03 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.836 0.454 . . . . 0.0 111.893 -164.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -69.59 -47.13 64.57 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.179 0.592 . . . . 0.0 111.304 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 39.7 tpp -62.24 -48.11 81.43 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.961 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -71.06 -35.66 72.0 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.242 -176.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 57' ' ' LEU . 26.2 ttpp -54.91 -57.8 10.19 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.511 1.124 . . . . 0.0 111.311 -179.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -73.03 -32.96 65.43 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.725 -176.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -71.04 -38.44 72.55 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.84 0.456 . . . . 0.0 111.18 -176.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -72.58 -43.47 63.35 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.35 0.66 . . . . 0.0 109.866 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.76 -31.13 68.91 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.431 -174.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -74.68 -35.11 62.77 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.365 0.266 . . . . 0.0 111.272 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 74.2 mtm180 -71.71 -23.82 61.7 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.968 0.507 . . . . 0.0 110.707 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -65.05 104.16 0.84 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.383 0.673 . . . . 0.0 109.955 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -151.62 82.75 1.29 Allowed 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -160.28 132.82 6.38 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.977 0.911 . . . . 0.0 109.391 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp . . . . . 0 C--O 1.255 1.356 0 C-N-CA 124.478 1.111 . . . . 0.0 108.556 -176.549 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 92.2 m95 . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.496 HG22 ' H ' ' A' ' 4' ' ' GLU . 99.2 m -66.41 146.09 54.95 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.574 1.15 . . . . 0.0 109.534 170.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.73 -22.97 65.83 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 118.257 0.48 . . . . 0.0 112.095 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.496 ' H ' HG22 ' A' ' 2' ' ' THR . 35.4 mt-10 -66.93 -55.2 15.61 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.019 0.928 . . . . 0.0 111.284 175.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -71.13 -29.39 65.19 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.404 0.682 . . . . 0.0 111.023 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 32.5 ttm -64.22 -37.7 88.41 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.118 1.367 . . . . 0.0 110.14 173.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.96 -32.51 60.75 Favored Glycine 0 C--N 1.346 1.104 0 O-C-N 124.021 0.826 . . . . 0.0 112.635 174.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.408 HG22 HG12 ' A' ' 27' ' ' VAL . 19.6 m -70.38 -33.02 70.91 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.253 0.621 . . . . 0.0 110.199 175.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.44 ' HB2' HG21 ' A' ' 27' ' ' VAL . . . -76.71 -35.84 57.59 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.512 0.725 . . . . 0.0 110.376 176.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.464 ' HG2' HD13 ' A' ' 51' ' ' ILE . 1.6 tmtp? -59.8 -49.06 79.17 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.659 173.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -69.19 -36.85 77.75 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.318 1.047 . . . . 0.0 110.668 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.68 -53.72 39.16 Favored Glycine 0 C--N 1.341 0.825 0 O-C-N 123.36 0.413 . . . . 0.0 112.119 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.549 ' HG ' HG21 ' A' ' 23' ' ' ILE . 24.0 mt -61.27 -40.07 92.74 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.89 0.876 . . . . 0.0 110.172 174.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.561 HD12 ' HB2' ' A' ' 55' ' ' HIS . 58.2 tp -61.14 -33.92 74.17 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 123.924 0.89 . . . . 0.0 111.536 177.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -83.89 -56.14 3.85 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 121.213 0.53 . . . . 0.0 111.353 -174.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -90.6 -28.5 18.39 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.726 0.81 . . . . 0.0 112.046 -169.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 111.24 -177.26 19.0 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 -169.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.47 ' NH2' ' HA ' ' A' ' 49' ' ' ASP . 93.6 mtt180 -82.05 56.8 3.27 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-N 117.673 0.737 . . . . 0.0 111.181 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -85.09 96.36 9.41 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.297 1.039 . . . . 0.0 108.692 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -55.36 -47.59 75.53 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.812 0.845 . . . . 0.0 111.993 -172.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.7 t -69.21 -39.54 78.53 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.16 0.584 . . . . 0.0 111.553 -177.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.29 -41.57 56.75 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.913 -171.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.549 HG21 ' HG ' ' A' ' 13' ' ' LEU . 38.2 mm -80.23 -31.57 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 122.964 0.506 . . . . 0.0 110.578 -176.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.502 ' HB1' ' O ' ' A' ' 31' ' ' THR . . . -71.9 -21.72 61.59 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.033 173.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -81.9 -28.45 32.88 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.687 0.795 . . . . 0.0 110.79 169.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.8 ttt -76.72 -65.4 0.94 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.617 0.367 . . . . 0.0 111.326 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.44 HG21 ' HB2' ' A' ' 9' ' ' ALA . 20.4 m -88.86 -41.5 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 123.307 0.643 . . . . 0.0 111.639 -174.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.72 -35.14 55.46 Favored Glycine 0 C--N 1.346 1.138 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.816 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.3 t 68.37 3.3 3.68 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.872 1.269 . . . . 0.0 112.948 173.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -122.4 -79.64 0.61 Allowed 'General case' 0 N--CA 1.481 1.115 0 O-C-N 121.782 -0.573 . . . . 0.0 111.603 -171.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.502 ' O ' ' HB1' ' A' ' 24' ' ' ALA . 17.4 m -138.04 165.8 25.69 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.971 0.508 . . . . 0.0 110.242 -172.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.6 t -51.23 -31.72 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 C-N-CA 125.222 1.409 . . . . 0.0 112.673 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.6 p -54.38 -33.93 60.18 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.043 1.337 . . . . 0.0 113.766 -175.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.4 mp0 -59.66 -50.53 73.52 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -175.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.411 ' H ' ' HB2' ' A' ' 24' ' ' ALA . 51.5 t -72.58 -28.95 63.11 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.541 0.336 . . . . 0.0 110.672 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -65.0 -53.91 38.75 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.442 0.697 . . . . 0.0 111.483 177.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -71.19 -24.9 62.31 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 122.456 0.302 . . . . 0.0 111.346 -177.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -63.8 -38.4 90.98 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-O 121.147 0.499 . . . . 0.0 110.625 173.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -80.09 -49.92 11.07 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.632 0.773 . . . . 0.0 111.959 -175.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -95.75 -60.62 1.61 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.556 0.742 . . . . 0.0 112.055 -169.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -63.69 -42.71 97.95 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 124.241 1.016 . . . . 0.0 111.548 -175.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -77.74 149.51 34.52 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.589 0.756 . . . . 0.0 110.427 -176.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -63.63 113.42 3.33 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.379 177.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.633 ' H ' ' HD3' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -58.36 80.2 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 124.727 1.211 . . . . 0.0 112.119 179.293 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -122.68 -5.79 8.62 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.016 0.927 . . . . 0.0 110.314 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.8 pm0 -71.16 -25.08 62.39 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.663 0.785 . . . . 0.0 109.948 167.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 58.77 44.93 16.35 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.724 1.21 . . . . 0.0 110.772 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -66.47 -29.9 70.12 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.489 -166.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.47 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 36.3 t70 -63.29 -47.91 80.31 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 123.31 0.381 . . . . 0.0 111.918 -175.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.534 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 12.6 pt-20 -68.89 -33.76 74.3 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 122.797 0.439 . . . . 0.0 111.049 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.464 HD13 ' HG2' ' A' ' 10' ' ' LYS . 86.1 mt -61.64 -45.56 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 124.024 0.93 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.468 HD11 ' O ' ' A' ' 13' ' ' LEU . 3.9 mm? -78.0 -25.27 47.92 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.855 179.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -65.31 -40.18 93.42 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 175.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 70.0 mm-40 -65.94 -52.07 52.98 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.166 175.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.561 ' HB2' HD12 ' A' ' 14' ' ' LEU . 86.4 t60 -53.41 -40.24 64.95 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 123.507 0.723 . . . . 0.0 111.435 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -60.6 -59.3 5.6 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.605 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 pp -67.11 -30.06 69.97 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 123.503 0.502 . . . . 0.0 111.323 -175.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.442 ' HE2' ' HB3' ' A' ' 54' ' ' GLN . 67.4 mttm -64.73 -58.87 5.08 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.513 0.725 . . . . 0.0 111.205 -178.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.0 tpp -64.71 -39.52 93.78 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 123.407 0.442 . . . . 0.0 111.297 -174.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -67.21 -37.33 83.44 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 119.38 -0.343 . . . . 0.0 111.66 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -41.93 44.45 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 117.928 0.331 . . . . 0.0 111.194 -177.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.53 -34.37 72.21 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 123.14 0.275 . . . . 0.0 110.359 -177.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.467 ' O ' ' HG2' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -65.04 -53.69 41.9 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.396 0.678 . . . . 0.0 110.007 173.614 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -55.4 -31.18 61.63 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.466 1.106 . . . . 0.0 111.072 -178.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.57 -48.07 14.43 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.789 0.836 . . . . 0.0 112.33 178.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -75.8 -20.79 57.93 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -170.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 63' ' ' ARG . 29.4 mmm180 -74.82 -24.62 58.65 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 120.7 0.286 . . . . 0.0 110.334 176.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -90.2 78.27 6.59 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 173.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -76.41 97.31 4.24 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.115 -176.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -139.24 -9.26 1.29 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.333 1.053 . . . . 0.0 111.285 176.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.2 mttm . . . . . 0 C--O 1.251 1.164 0 C-N-CA 123.654 0.781 . . . . 0.0 109.316 -178.823 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 78.3 m95 . . . . . 0 N--CA 1.471 0.598 0 CA-C-O 121.253 0.549 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.6 m -78.17 160.7 27.85 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.19 0.996 . . . . 0.0 109.751 173.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.514 ' HA ' ' HB3' ' A' ' 6' ' ' MET . 37.5 mt-10 -54.25 -18.21 3.68 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.463 1.105 . . . . 0.0 113.869 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -66.77 -57.38 7.2 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.258 0.623 . . . . 0.0 111.353 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.6 pm0 -77.66 -30.37 52.03 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.176 0.59 . . . . 0.0 110.29 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.514 ' HB3' ' HA ' ' A' ' 3' ' ' GLU . 49.9 ttm -66.41 -34.75 78.65 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.921 0.888 . . . . 0.0 110.541 174.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.04 -35.71 53.14 Favored Glycine 0 C--N 1.349 1.282 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.989 175.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.408 HG22 HG12 ' A' ' 27' ' ' VAL . 20.0 m -72.13 -28.54 63.33 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.118 0.567 . . . . 0.0 110.176 174.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.01 -39.97 60.84 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.844 0.858 . . . . 0.0 109.897 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.59 -47.42 86.31 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.426 1.09 . . . . 0.0 109.803 174.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 58.0 tptt -61.33 -45.3 95.0 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 114.594 -1.184 . . . . 0.0 110.133 177.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -61.02 -48.29 86.99 Favored Glycine 0 C--N 1.349 1.251 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.617 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.421 HD22 ' HD2' ' A' ' 18' ' ' ARG . 29.5 mt -57.98 -38.16 75.55 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.201 1.0 . . . . 0.0 110.496 178.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.67 -57.27 12.65 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.218 0.607 . . . . 0.0 109.42 175.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 11' ' ' LYS . 37.4 mm-40 -63.32 -46.63 85.76 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.311 0.645 . . . . 0.0 111.942 -172.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -90.68 -12.84 35.54 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.9 0.88 . . . . 0.0 112.106 -172.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.71 57.72 4.06 Favored Glycine 0 CA--C 1.532 1.137 0 CA-C-O 120.083 -0.287 . . . . 0.0 112.899 173.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.421 ' HD2' HD22 ' A' ' 13' ' ' LEU . 4.9 tpt180 70.35 7.72 6.33 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 124.729 1.211 . . . . 0.0 112.555 171.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.505 ' O ' HG12 ' A' ' 23' ' ' ILE . 24.4 t-20 -75.4 94.76 3.12 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.172 0.589 . . . . 0.0 109.971 -175.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.705 ' HE3' ' HG ' ' A' ' 35' ' ' CYS . 66.1 m95 -53.38 -35.32 60.19 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.938 1.295 . . . . 0.0 113.039 -172.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.458 ' HA ' HG22 ' A' ' 32' ' ' VAL . 17.3 m -65.64 -43.79 88.38 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 124.052 0.845 . . . . 0.0 110.912 -178.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.48 -37.12 82.4 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.672 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.541 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 7.5 mm -74.06 -46.47 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 122.779 0.432 . . . . 0.0 110.301 -173.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.51 -26.76 68.86 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.321 0.648 . . . . 0.0 111.072 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -80.22 -36.48 34.71 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.8 0.84 . . . . 0.0 110.559 174.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.4 ttt -73.94 -60.67 2.15 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.662 0.785 . . . . 0.0 111.532 -174.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.408 HG12 HG22 ' A' ' 8' ' ' THR . 15.8 m -87.06 -38.38 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.441 0.696 . . . . 0.0 111.834 -175.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.08 -45.97 5.76 Favored Glycine 0 C--N 1.346 1.114 0 CA-C-N 116.381 -0.372 . . . . 0.0 113.4 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.3 t 60.96 29.74 19.2 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.282 1.033 . . . . 0.0 109.713 -163.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -125.25 -169.01 1.92 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.843 1.257 . . . . 0.0 110.372 -173.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.412 HG22 ' H ' ' A' ' 33' ' ' SER . 25.0 m -60.87 147.55 42.57 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.758 1.223 . . . . 0.0 111.731 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.458 HG22 ' HA ' ' A' ' 21' ' ' SER . 95.3 t -56.29 -33.04 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 C-N-CA 123.978 0.911 . . . . 0.0 111.76 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.412 ' H ' HG22 ' A' ' 31' ' ' THR . 20.7 t -58.21 -29.16 65.48 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.409 1.084 . . . . 0.0 112.068 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -59.02 -49.42 77.98 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.58 0.752 . . . . 0.0 111.581 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.705 ' HG ' ' HE3' ' A' ' 20' ' ' TRP . 50.0 t -67.97 -38.35 82.65 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.949 0.5 . . . . 0.0 111.244 -176.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -64.73 -56.56 12.93 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.803 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -60.39 -36.61 78.49 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 123.96 0.787 . . . . 0.0 110.928 -175.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.474 ' HZ ' ' HG3' ' A' ' 6' ' ' MET . 15.1 t80 -54.29 -44.92 72.36 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.684 0.793 . . . . 0.0 110.682 172.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -73.0 -17.67 61.43 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.075 0.55 . . . . 0.0 111.233 -176.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.492 ' HA ' ' HE2' ' A' ' 43' ' ' LYS . 10.8 m-85 -80.68 -31.57 36.25 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.116 0.567 . . . . 0.0 110.959 172.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -76.7 -66.24 0.84 Allowed 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 173.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -72.41 100.51 2.7 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.307 1.043 . . . . 0.0 110.074 174.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.492 ' HE2' ' HA ' ' A' ' 40' ' ' PHE . 60.8 mttm -128.42 143.01 50.93 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.694 0.797 . . . . 0.0 109.567 173.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -133.3 151.56 51.89 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 124.393 1.077 . . . . 0.0 108.252 174.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -62.44 -33.64 75.21 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.25 0.62 . . . . 0.0 111.954 -177.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -161.34 99.62 1.18 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.688 0.795 . . . . 0.0 109.752 -176.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -153.86 -91.76 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.567 0.347 . . . . 0.0 110.797 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -69.09 -32.65 72.23 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 122.655 0.382 . . . . 0.0 110.28 -169.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.64 -37.97 74.23 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.268 0.627 . . . . 0.0 111.385 174.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 9.0 tp10 -72.71 -48.85 35.36 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.463 176.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.9 mt -55.67 -36.1 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 C-N-CA 124.578 1.151 . . . . 0.0 111.297 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.409 ' HG ' ' HD3' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -71.25 -44.4 65.37 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.442 -178.161 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -59.13 -43.79 91.99 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.294 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.504 ' HB3' ' HE3' ' A' ' 58' ' ' LYS . 86.8 mm-40 -61.3 -43.01 99.59 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.681 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -56.41 -41.72 76.79 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 123.548 0.53 . . . . 0.0 110.865 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -64.73 -61.76 1.99 Allowed 'General case' 0 C--N 1.348 0.524 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.259 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 pp -66.56 -31.15 71.68 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 123.909 0.756 . . . . 0.0 112.893 -168.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.504 ' HE3' ' HB3' ' A' ' 54' ' ' GLN . 95.1 mttt -63.96 -51.24 65.27 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.164 0.586 . . . . 0.0 110.672 177.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 53.3 ttm -67.62 -36.5 80.93 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 123.985 0.803 . . . . 0.0 110.611 178.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -63.75 -49.98 70.85 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.498 1.119 . . . . 0.0 112.061 -176.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -71.69 -38.53 70.57 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.972 0.509 . . . . 0.0 111.707 -175.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -35.12 63.92 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -177.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -70.36 -33.68 71.74 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.098 0.559 . . . . 0.0 110.342 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -66.9 -50.51 62.19 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.924 174.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.72 -35.26 76.92 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.286 1.034 . . . . 0.0 112.652 -173.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -73.3 -20.14 60.88 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 122.969 0.507 . . . . 0.0 111.037 -175.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -94.48 -13.25 26.33 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 122.944 0.498 . . . . 0.0 110.725 176.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -83.7 95.71 8.48 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 170.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt 60.54 76.74 0.35 Allowed 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.433 1.093 . . . . 0.0 110.384 -176.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -69.97 139.73 52.86 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.614 -174.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 176.606 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 38.0 m95 . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.4 m -63.12 162.13 12.25 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 123.691 0.796 . . . . 0.0 110.483 176.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -51.53 -29.43 16.78 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.607 1.163 . . . . 0.0 113.162 -174.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.2 -55.46 24.83 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.334 0.654 . . . . 0.0 110.824 -177.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.5 pm0 -78.61 -27.21 45.48 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.445 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 44.8 tpp -53.25 -52.87 57.58 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.751 0.82 . . . . 0.0 111.409 177.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.59 -34.01 88.75 Favored Glycine 0 C--N 1.344 1.001 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.905 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.623 HG22 HG12 ' A' ' 27' ' ' VAL . 28.4 m -70.36 -38.97 74.88 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.007 0.923 . . . . 0.0 111.006 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.555 ' HA ' HG11 ' A' ' 27' ' ' VAL . . . -77.48 -37.57 51.01 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.301 0.64 . . . . 0.0 110.454 -178.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -62.25 -42.63 99.5 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 123.966 0.791 . . . . 0.0 109.726 173.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -61.19 -41.8 97.46 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.864 0.865 . . . . 0.0 110.118 175.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.51 -48.99 77.8 Favored Glycine 0 C--N 1.345 1.048 0 O-C-N 123.46 0.475 . . . . 0.0 113.01 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.428 ' HB3' HD21 ' A' ' 48' ' ' LEU . 46.4 mt -69.0 -26.76 65.18 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.106 0.962 . . . . 0.0 110.49 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.9 tp -76.07 -39.03 56.31 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 123.25 0.62 . . . . 0.0 110.885 176.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -93.5 -62.72 1.31 Allowed 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 120.942 0.401 . . . . 0.0 110.787 -173.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -79.39 -29.25 41.96 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.873 0.869 . . . . 0.0 111.72 -174.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.471 ' HA2' HD11 ' A' ' 52' ' ' LEU . . . 100.76 -155.63 19.31 Favored Glycine 0 C--N 1.343 0.948 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.991 178.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -88.58 19.5 3.89 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.505 0.722 . . . . 0.0 112.284 -176.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.445 ' O ' HG12 ' A' ' 23' ' ' ILE . 28.5 m-80 -74.38 87.55 2.04 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 177.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -60.25 -27.75 67.48 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.816 0.846 . . . . 0.0 112.023 -168.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.1 t -67.0 -38.09 85.38 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.256 0.622 . . . . 0.0 110.761 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.98 -44.97 45.24 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.666 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 19' ' ' ASN . 26.6 mm -67.38 -52.48 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.078 -174.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 31' ' ' THR . . . -68.29 -22.33 64.73 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -174.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -80.72 -33.48 35.21 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 122.85 0.46 . . . . 0.0 110.073 176.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 55.7 ttp -77.94 -59.18 2.89 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.54 0.736 . . . . 0.0 111.452 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.623 HG12 HG22 ' A' ' 8' ' ' THR . 3.8 m -85.71 -42.36 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.203 1.001 . . . . 0.0 111.563 -171.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.03 -39.84 11.12 Favored Glycine 0 C--N 1.35 1.336 0 O-C-N 123.587 0.554 . . . . 0.0 112.187 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.6 t 65.39 10.26 6.4 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.127 1.371 . . . . 0.0 112.036 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -133.68 -78.23 0.47 Allowed 'General case' 0 C--N 1.36 1.031 0 O-C-N 121.84 -0.537 . . . . 0.0 111.719 -172.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.402 ' O ' ' HB1' ' A' ' 24' ' ' ALA . 19.2 m -125.23 136.99 54.1 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.018 0.527 . . . . 0.0 111.407 -165.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.6 -40.89 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 123.657 0.783 . . . . 0.0 111.18 175.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.3 m -57.95 -28.8 64.65 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.111 0.964 . . . . 0.0 111.856 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -62.09 -49.06 77.45 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.537 0.735 . . . . 0.0 111.381 -178.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 51.9 t -72.92 -26.6 61.46 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.15 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.431 ' HE2' ' HB3' ' A' ' 36' ' ' LYS . 37.0 mtpt -65.61 -41.7 92.43 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.393 171.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -66.64 -29.91 70.05 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.478 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -50.54 -44.86 56.51 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 124.066 0.946 . . . . 0.0 110.331 172.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -64.79 -33.49 76.1 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 114.148 -1.387 . . . . 0.0 112.25 -172.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -98.67 -35.86 10.04 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.033 0.533 . . . . 0.0 111.936 -173.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.41 HD22 ' N ' ' A' ' 41' ' ' ASN . 0.8 OUTLIER -74.95 -23.69 58.35 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.309 0.644 . . . . 0.0 110.878 -175.651 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -100.52 96.08 7.15 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.569 0.7 . . . . 0.0 111.589 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -105.72 165.53 11.1 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-N 114.404 -1.271 . . . . 0.0 108.181 168.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm 66.42 4.48 3.27 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.027 0.931 . . . . 0.0 112.835 177.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -134.57 104.81 6.23 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.91 0.884 . . . . 0.0 110.165 -172.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 46.17 96.54 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 125.433 1.493 . . . . 0.0 113.929 168.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -64.92 126.42 27.95 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-O 121.051 0.453 . . . . 0.0 109.938 -176.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.428 HD21 ' HB3' ' A' ' 13' ' ' LEU . 3.0 tm? -63.34 -27.71 69.5 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.185 0.994 . . . . 0.0 111.344 -174.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -64.64 -32.18 73.72 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.364 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 40.2 tt0 -74.33 -39.17 63.01 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.098 0.559 . . . . 0.0 110.255 177.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.2 mt -57.3 -46.84 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 123.368 0.667 . . . . 0.0 110.542 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.471 HD11 ' HA2' ' A' ' 17' ' ' GLY . 4.5 mm? -72.29 -31.27 65.58 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.721 178.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -65.45 -49.82 67.7 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.81 0.444 . . . . 0.0 110.654 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 80.3 mm-40 -60.96 -48.92 79.6 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 124.159 0.912 . . . . 0.0 109.678 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -53.18 -46.0 68.75 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 123.68 0.612 . . . . 0.0 111.394 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -59.71 -57.39 13.14 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 123.756 0.66 . . . . 0.0 110.776 -177.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 pp -68.33 -30.02 68.9 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.595 0.56 . . . . 0.0 111.783 -173.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.538 ' HA ' ' HE3' ' A' ' 61' ' ' LYS . 59.4 mtpt -68.29 -49.91 57.23 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.075 0.55 . . . . 0.0 111.158 178.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 37.5 mmt -65.6 -42.75 91.29 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 123.616 0.573 . . . . 0.0 109.931 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -69.87 -41.76 74.38 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.358 -171.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.538 ' HE3' ' HA ' ' A' ' 58' ' ' LYS . 23.1 pttp -67.46 -41.69 84.25 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 123.032 0.208 . . . . 0.0 111.37 -174.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -27.67 60.61 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.465 0.306 . . . . 0.0 110.507 178.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -68.77 -40.21 79.84 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.131 0.972 . . . . 0.0 110.134 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -67.04 -38.53 86.05 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.746 176.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.16 -40.38 78.21 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.744 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -79.28 -14.77 58.8 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 122.796 0.439 . . . . 0.0 111.854 -173.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -101.22 -47.83 4.59 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -86.55 76.39 9.58 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 174.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -85.48 62.35 7.42 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.95 -177.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -91.0 96.64 10.73 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.011 -174.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.169 0 C-N-CA 124.17 0.988 . . . . 0.0 110.216 -176.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 40.5 m95 . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.5 m -76.38 163.89 26.54 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 123.719 0.808 . . . . 0.0 109.416 174.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.529 ' HA ' ' HB2' ' A' ' 6' ' ' MET . 38.3 mt-10 -57.18 -19.37 20.26 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -176.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -63.14 -57.52 10.28 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.461 0.704 . . . . 0.0 110.607 175.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -77.56 -29.45 52.2 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.25 0.62 . . . . 0.0 110.9 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.529 ' HB2' ' HA ' ' A' ' 3' ' ' GLU . 84.0 mmm -63.53 -38.97 93.17 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.206 0.602 . . . . 0.0 110.907 172.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.93 -32.39 53.34 Favored Glycine 0 C--N 1.343 0.924 0 O-C-N 123.817 0.698 . . . . 0.0 112.768 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.403 HG22 HG12 ' A' ' 27' ' ' VAL . 32.6 m -77.32 -29.57 53.67 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.229 0.612 . . . . 0.0 110.61 175.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.08 -33.07 61.63 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.368 0.667 . . . . 0.0 109.592 174.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.521 ' HG2' HD13 ' A' ' 51' ' ' ILE . 1.2 tmtp? -64.65 -51.93 60.01 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.204 1.001 . . . . 0.0 109.662 174.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -59.73 -38.76 82.6 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.0 1.32 . . . . 0.0 110.014 176.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.25 -48.83 56.59 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-N 115.04 -0.982 . . . . 0.0 112.436 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.572 HD13 HD11 ' A' ' 48' ' ' LEU . 76.0 mt -66.11 -39.28 89.81 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.231 0.612 . . . . 0.0 110.871 -175.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.469 HD12 ' HB2' ' A' ' 55' ' ' HIS . 42.1 tp -59.47 -54.42 46.87 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 123.665 0.603 . . . . 0.0 110.548 175.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -65.65 -57.4 8.2 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.582 0.753 . . . . 0.0 110.651 -174.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.49 ' HB2' HD11 ' A' ' 23' ' ' ILE . 85.0 m-70 -78.11 -14.94 59.29 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.037 0.935 . . . . 0.0 112.974 -173.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 68.79 56.4 9.5 Favored Glycine 0 CA--C 1.538 1.479 0 CA-C-O 120.082 -0.288 . . . . 0.0 113.476 177.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.525 ' HG3' ' HG ' ' A' ' 52' ' ' LEU . 57.2 mtt180 59.63 23.11 11.86 Favored 'General case' 0 N--CA 1.5 2.052 0 C-N-CA 124.545 1.138 . . . . 0.0 113.561 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.49 ' O ' HG12 ' A' ' 23' ' ' ILE . 19.9 t-20 -75.21 86.55 2.44 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 176.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 45.3 m95 -58.84 -26.45 64.18 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 123.882 0.873 . . . . 0.0 112.232 -172.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.493 ' HA ' HG22 ' A' ' 32' ' ' VAL . 45.2 t -59.32 -47.51 85.11 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.172 0.989 . . . . 0.0 110.573 173.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.19 -38.67 63.56 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 115.008 -0.997 . . . . 0.0 111.735 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.49 HD11 ' HB2' ' A' ' 16' ' ' HIS . 19.6 mm -72.51 -42.45 63.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 122.752 0.421 . . . . 0.0 110.617 -173.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.36 -37.21 79.99 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.858 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.3 ttt85 -73.38 -38.79 65.53 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 123.497 0.719 . . . . 0.0 110.879 174.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.5 ttt -68.33 -61.46 1.83 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.39 0.676 . . . . 0.0 111.599 -172.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.403 HG12 HG22 ' A' ' 8' ' ' THR . 18.9 m -87.17 -42.9 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 123.189 0.595 . . . . 0.0 111.708 -176.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.19 -41.21 8.67 Favored Glycine 0 C--N 1.346 1.122 0 CA-C-N 115.503 -0.771 . . . . 0.0 114.031 -174.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t 58.81 30.1 19.62 Favored 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 124.491 1.116 . . . . 0.0 109.474 -162.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -129.31 172.74 11.18 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.911 1.285 . . . . 0.0 110.076 -167.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.6 m -45.47 142.15 2.37 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 126.039 1.736 . . . . 0.0 113.46 176.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.493 HG22 ' HA ' ' A' ' 21' ' ' SER . 76.5 t -55.8 -37.27 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 C-N-CA 123.969 0.907 . . . . 0.0 111.149 178.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.428 ' HA ' ' HE3' ' A' ' 36' ' ' LYS . 15.6 m -54.22 -35.29 62.27 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.623 1.169 . . . . 0.0 112.241 178.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -63.05 -54.36 39.35 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.999 0.52 . . . . 0.0 111.923 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.411 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 44.0 t -71.78 -32.82 68.05 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-O 121.179 0.514 . . . . 0.0 111.179 -176.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.428 ' HE3' ' HA ' ' A' ' 33' ' ' SER . 24.9 ttpp -67.54 -46.77 71.82 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.308 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -74.57 -24.95 58.99 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.727 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.46 ' HZ ' ' SD ' ' A' ' 6' ' ' MET . 41.9 t80 -59.95 -24.56 64.48 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.473 0.709 . . . . 0.0 111.228 176.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.408 ' HE1' HD12 ' A' ' 48' ' ' LEU . 3.3 t80 -63.78 -16.53 61.44 Favored 'General case' 0 CA--C 1.56 1.357 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -103.02 8.31 38.92 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 124.765 1.226 . . . . 0.0 110.655 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -129.39 123.35 31.47 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.958 1.303 . . . . 0.0 109.053 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 38.4 t80 57.56 35.01 25.31 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.549 0.74 . . . . 0.0 110.7 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -60.25 119.4 7.82 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.6 -177.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.645 ' HD2' ' HB2' ' A' ' 47' ' ' ASN . 6.3 mmtt -71.0 115.58 10.29 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.435 0.694 . . . . 0.0 110.458 -176.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -58.64 98.9 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.006 1.322 . . . . 0.0 110.912 -177.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 71.34 -36.46 0.36 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.821 1.648 . . . . 0.0 113.232 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.645 ' HB2' ' HD2' ' A' ' 44' ' ' LYS . 13.6 m120 -69.2 -22.64 63.88 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.005 0.922 . . . . 0.0 113.018 -165.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.572 HD11 HD13 ' A' ' 13' ' ' LEU . 2.5 tm? -89.11 -41.88 12.03 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 174.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -66.26 -38.35 87.65 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.061 -172.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 12.7 pt-20 -62.04 -37.03 83.39 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.578 0.751 . . . . 0.0 110.363 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.521 HD13 ' HG2' ' A' ' 10' ' ' LYS . 92.5 mt -54.73 -46.23 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.198 0.999 . . . . 0.0 111.348 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.525 ' HG ' ' HG3' ' A' ' 18' ' ' ARG . 4.3 mm? -77.54 -33.64 54.1 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.647 -178.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -65.48 -38.7 90.52 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 17.8 mm-40 -70.85 -42.36 70.22 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.942 176.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.469 ' HB2' HD12 ' A' ' 14' ' ' LEU . 27.1 t-80 -54.19 -45.54 72.18 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.105 0.562 . . . . 0.0 110.217 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -59.33 -53.79 54.2 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.004 0.921 . . . . 0.0 112.062 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.3 -25.28 63.25 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.643 0.377 . . . . 0.0 111.717 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.534 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 7.5 mtpm? -72.03 -49.64 35.13 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 122.941 0.497 . . . . 0.0 110.501 175.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 17.7 mmt -53.33 -38.79 63.54 Favored 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 124.021 0.928 . . . . 0.0 110.327 175.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -69.15 -53.99 17.25 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 114.372 -1.286 . . . . 0.0 111.63 178.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.534 ' HG2' ' HA ' ' A' ' 58' ' ' LYS . 21.2 ptmt -69.26 -38.4 78.39 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -169.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.21 -38.58 78.65 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.047 0.539 . . . . 0.0 110.705 -177.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -73.47 -37.3 65.83 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.097 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -71.48 -34.54 70.27 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.889 0.476 . . . . 0.0 110.472 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.1 -40.37 74.98 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.411 0.685 . . . . 0.0 111.506 -176.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -77.89 -15.18 59.22 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.787 0.435 . . . . 0.0 111.451 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -95.57 -13.21 24.61 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.68 0.392 . . . . 0.0 110.518 169.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -85.46 69.61 10.7 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 122.552 1.168 . . . . 0.0 109.081 176.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -101.57 -5.37 25.22 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 113.664 -1.607 . . . . 0.0 109.249 171.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.03 112.38 24.35 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 124.902 1.281 . . . . 0.0 108.567 176.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.0 pttt . . . . . 0 C--O 1.25 1.083 0 C-N-CA 123.555 0.742 . . . . 0.0 109.806 -179.832 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 73.1 m95 . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.9 m -67.91 150.25 48.77 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 171.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -61.03 -23.23 65.27 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-N 118.278 0.49 . . . . 0.0 111.512 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -62.65 -56.33 18.72 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.607 0.763 . . . . 0.0 111.241 175.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -72.62 -29.1 63.19 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.191 0.596 . . . . 0.0 110.841 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 37.9 ttm -66.91 -31.5 72.14 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.139 0.976 . . . . 0.0 110.874 177.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.37 -35.06 75.43 Favored Glycine 0 C--N 1.347 1.149 0 O-C-N 123.675 0.609 . . . . 0.0 112.429 174.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.6 m -69.42 -36.36 76.61 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.625 0.77 . . . . 0.0 110.323 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.23 -45.6 76.28 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.037 175.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -59.24 -42.82 91.99 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.968 1.307 . . . . 0.0 111.444 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -72.9 -34.94 66.96 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.32 0.648 . . . . 0.0 110.521 178.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.47 -44.9 92.32 Favored Glycine 0 C--N 1.347 1.141 0 N-CA-C 112.176 -0.37 . . . . 0.0 112.176 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.552 HD23 HG13 ' A' ' 23' ' ' ILE . 43.0 mt -63.26 -24.36 67.84 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.946 1.298 . . . . 0.0 111.053 177.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.7 tt -75.48 -58.19 3.43 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 122.772 0.429 . . . . 0.0 109.954 170.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.76 -63.07 1.43 Allowed 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 124.127 0.971 . . . . 0.0 111.98 -170.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -82.14 -25.83 34.02 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.453 -173.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.19 -175.17 23.68 Favored Glycine 0 C--N 1.336 0.563 0 N-CA-C 110.159 -1.176 . . . . 0.0 110.159 -166.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.466 ' HG3' HD22 ' A' ' 13' ' ' LEU . 40.6 ttp180 -85.06 32.32 0.54 Allowed 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 117.586 0.693 . . . . 0.0 110.948 -178.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.439 ' O ' HG12 ' A' ' 23' ' ' ILE . 39.7 m-20 -75.25 88.48 2.52 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.559 1.143 . . . . 0.0 108.687 -177.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -58.88 -25.75 63.63 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -166.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.461 ' HA ' HG22 ' A' ' 32' ' ' VAL . 42.6 t -68.99 -42.39 76.58 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 117.949 0.34 . . . . 0.0 110.349 177.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.89 -41.82 64.25 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.028 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.552 HG13 HD23 ' A' ' 13' ' ' LEU . 40.1 mm -69.55 -37.72 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.172 0.589 . . . . 0.0 110.529 -175.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.21 -22.44 57.95 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.01 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -82.24 -26.02 33.6 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.032 0.533 . . . . 0.0 110.123 172.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.5 ttt -76.07 -60.52 2.29 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.534 0.734 . . . . 0.0 110.627 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 23' ' ' ILE . 19.0 m -85.97 -47.74 16.36 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 C-N-CA 123.044 0.538 . . . . 0.0 111.743 -174.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.59 -41.33 9.08 Favored Glycine 0 C--N 1.352 1.437 0 C-N-CA 122.83 0.252 . . . . 0.0 113.018 -178.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.2 t 56.86 23.71 8.43 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 125.205 1.402 . . . . 0.0 112.119 -173.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -136.01 -69.14 0.49 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.955 0.502 . . . . 0.0 111.903 -172.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 60.8 m -133.59 131.51 39.75 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -169.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.461 HG22 ' HA ' ' A' ' 21' ' ' SER . 68.0 t -63.05 -42.78 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 C-N-CA 124.473 1.109 . . . . 0.0 111.401 177.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.9 m -56.6 -44.04 80.73 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.873 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -57.41 -45.24 84.8 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -172.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 47.8 t -77.05 -33.41 57.28 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.451 -178.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -70.64 -46.93 62.38 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.195 0.598 . . . . 0.0 110.814 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -61.21 -32.9 72.67 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.726 1.21 . . . . 0.0 111.342 -175.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -48.06 -45.51 32.4 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.584 1.153 . . . . 0.0 111.584 175.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -58.39 -30.69 67.01 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.506 -175.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -102.22 -20.01 14.84 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.308 1.043 . . . . 0.0 111.916 -174.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -73.05 -22.97 60.53 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 118.364 0.529 . . . . 0.0 110.817 175.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.82 108.29 9.75 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -67.97 -31.41 71.12 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.605 0.762 . . . . 0.0 111.012 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -73.66 142.03 46.46 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.705 172.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -62.56 105.49 0.64 Allowed 'General case' 0 C--O 1.242 0.684 0 O-C-N 123.783 0.677 . . . . 0.0 110.151 177.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -70.96 108.94 4.79 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 167.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.504 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 25.7 m-80 -82.47 46.14 1.03 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.843 0.857 . . . . 0.0 110.054 178.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.525 ' HA ' HD13 ' A' ' 51' ' ' ILE . 2.9 tm? -79.05 -16.48 56.75 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.6 1.56 . . . . 0.0 108.984 177.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -54.7 -43.21 72.34 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.533 1.133 . . . . 0.0 111.572 173.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 47' ' ' ASN . 12.3 pt-20 -73.81 -23.8 59.72 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 123.252 0.345 . . . . 0.0 111.279 -178.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.525 HD13 ' HA ' ' A' ' 48' ' ' LEU . 1.8 mp -64.96 -46.96 90.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 C-N-CA 123.234 0.614 . . . . 0.0 109.535 175.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.403 HD23 HD13 ' A' ' 48' ' ' LEU . 4.4 mm? -66.72 -38.51 86.83 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.858 176.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -67.57 -41.29 84.42 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.372 0.669 . . . . 0.0 111.229 -177.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 14.9 mm-40 -65.15 -47.69 76.18 Favored 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -61.89 -30.06 70.62 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 123.573 0.546 . . . . 0.0 110.873 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -70.49 -52.01 25.0 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.969 0.908 . . . . 0.0 111.421 -179.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 pp -72.25 -27.74 62.69 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.021 0.528 . . . . 0.0 111.46 -176.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.432 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 97.0 mttt -73.73 -40.45 63.55 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 174.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 57.3 ttp -57.25 -36.4 70.93 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.877 0.871 . . . . 0.0 111.316 178.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -68.67 -58.73 3.82 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.765 177.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.432 ' HG2' ' HA ' ' A' ' 58' ' ' LYS . 59.7 pttt -65.05 -33.88 77.1 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 123.467 0.48 . . . . 0.0 112.009 -170.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -77.36 -32.55 55.12 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.726 0.41 . . . . 0.0 110.806 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -74.64 -35.31 62.87 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.335 0.654 . . . . 0.0 109.694 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -71.56 -33.14 68.85 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.562 173.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.01 -39.79 60.96 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 122.966 0.506 . . . . 0.0 111.707 -178.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -76.53 -16.24 59.67 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 122.666 0.387 . . . . 0.0 111.576 -177.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -99.05 -13.85 19.68 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.56 0.744 . . . . 0.0 110.565 171.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt 67.48 9.42 7.01 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 125.691 1.596 . . . . 0.0 111.801 -170.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -74.91 84.85 2.23 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 124.703 1.201 . . . . 0.0 110.858 -174.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -155.79 152.54 28.57 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 174.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.557 1.231 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 174.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 99.5 m95 . . . . . 0 N--CA 1.473 0.706 0 CA-C-O 121.145 0.498 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.0 m -78.14 155.5 30.44 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.552 1.141 . . . . 0.0 109.361 173.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.4 ' HA ' ' HB3' ' A' ' 6' ' ' MET . 43.9 mt-10 -57.21 -20.86 29.54 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -175.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -73.23 -55.23 6.72 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.68 0.392 . . . . 0.0 110.5 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -68.72 -30.39 69.02 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 122.891 0.477 . . . . 0.0 110.684 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.4 ' HB3' ' HA ' ' A' ' 3' ' ' GLU . 46.6 tpp -66.16 -38.45 88.13 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.381 1.072 . . . . 0.0 110.555 175.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.23 -36.78 71.23 Favored Glycine 0 C--N 1.344 0.973 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.347 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.6 m -73.98 -28.78 61.65 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.271 0.628 . . . . 0.0 110.217 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.31 -50.14 42.36 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 177.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HG3' HD13 ' A' ' 51' ' ' ILE . 76.5 tttt -55.88 -42.24 75.63 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.898 1.279 . . . . 0.0 111.137 173.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -67.55 -35.59 79.35 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 123.786 0.679 . . . . 0.0 110.251 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.24 -46.01 67.07 Favored Glycine 0 C--N 1.341 0.855 0 CA-C-N 116.079 -0.509 . . . . 0.0 112.155 174.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.7 mt -65.3 -23.46 67.03 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.589 1.156 . . . . 0.0 110.724 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.527 HD12 ' HB2' ' A' ' 55' ' ' HIS . 63.2 tp -75.26 -60.56 2.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.033 0.533 . . . . 0.0 109.625 171.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -75.66 -60.69 2.2 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.247 0.619 . . . . 0.0 111.547 -168.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -67.7 -41.13 84.09 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 121.547 0.689 . . . . 0.0 110.328 176.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.62 -167.62 16.64 Favored Glycine 0 CA--C 1.523 0.546 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.964 -170.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 46.5 mtm180 -82.73 50.0 1.6 Allowed 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 121.592 0.71 . . . . 0.0 110.997 176.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.445 ' O ' HG12 ' A' ' 23' ' ' ILE . 70.7 m-20 -88.83 90.9 8.61 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 107.362 -1.348 . . . . 0.0 107.362 175.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.657 ' HE3' ' HG ' ' A' ' 35' ' ' CYS . 57.9 m95 -56.89 -38.35 72.65 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.482 1.113 . . . . 0.0 113.066 -163.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.1 t -62.3 -50.38 71.9 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.178 0.591 . . . . 0.0 110.557 175.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.54 -40.94 96.49 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.413 0.685 . . . . 0.0 111.857 -176.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 19' ' ' ASN . 25.1 mm -75.22 -39.57 42.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 123.052 0.541 . . . . 0.0 110.436 -175.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.51 -23.8 62.72 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.269 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -82.7 -28.85 30.26 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.345 0.658 . . . . 0.0 110.775 170.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.2 ttt -74.41 -61.21 1.95 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.008 0.523 . . . . 0.0 110.943 -176.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.8 m -88.92 -46.23 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 122.84 0.456 . . . . 0.0 111.955 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.31 -24.99 62.24 Favored Glycine 0 C--N 1.344 0.986 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.653 -175.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.6 t 65.09 13.42 8.69 Favored 'General case' 0 CA--C 1.559 1.321 0 C-N-CA 124.803 1.241 . . . . 0.0 112.06 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.469 ' HB2' ' NE2' ' A' ' 34' ' ' GLN . 28.1 mtpp -140.29 -147.53 0.22 Allowed 'General case' 0 CA--C 1.566 1.561 0 C-N-CA 123.866 0.867 . . . . 0.0 110.567 -170.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.454 HG22 ' H ' ' A' ' 33' ' ' SER . 56.0 m -67.62 148.87 50.81 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.196 1.398 . . . . 0.0 112.984 -170.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.9 p -47.98 -32.36 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 C-N-CA 125.719 1.607 . . . . 0.0 113.007 177.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.454 ' H ' HG22 ' A' ' 31' ' ' THR . 58.2 m -52.43 -33.88 46.08 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.787 1.235 . . . . 0.0 113.507 -177.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.469 ' NE2' ' HB2' ' A' ' 30' ' ' LYS . 41.0 mt-30 -58.37 -49.56 76.79 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.957 0.503 . . . . 0.0 111.963 -174.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.657 ' HG ' ' HE3' ' A' ' 20' ' ' TRP . 35.8 t -77.09 -31.52 55.98 Favored 'General case' 0 N--CA 1.481 1.102 0 O-C-N 123.52 0.512 . . . . 0.0 110.937 -175.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.38 -48.33 75.89 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.266 0.627 . . . . 0.0 111.285 175.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -71.79 -41.9 67.74 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.833 -177.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -49.13 -46.96 45.81 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 124.358 1.063 . . . . 0.0 111.654 176.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.459 ' HE1' HD12 ' A' ' 48' ' ' LEU . 25.6 t80 -65.81 -40.68 92.11 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.775 -169.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -103.98 -5.56 22.09 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 123.467 0.707 . . . . 0.0 112.387 -172.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -101.46 -48.07 4.47 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 122.912 0.485 . . . . 0.0 109.959 175.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -85.74 13.65 6.91 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 123.523 0.729 . . . . 0.0 110.663 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -57.38 110.8 0.92 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.111 0.964 . . . . 0.0 111.422 176.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -131.75 25.16 4.7 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.092 0.957 . . . . 0.0 109.961 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 36.0 ttp-105 64.9 79.11 0.26 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.627 1.171 . . . . 0.0 109.928 -174.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -93.46 159.69 15.13 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.457 177.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -87.27 19.62 3.13 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.02 0.928 . . . . 0.0 110.707 177.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.479 ' HA ' HD12 ' A' ' 51' ' ' ILE . 2.3 tm? -64.82 -30.71 71.72 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.079 0.952 . . . . 0.0 111.046 -174.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -61.99 -39.55 92.59 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.431 0.692 . . . . 0.0 111.134 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -72.16 -36.94 69.44 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.687 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 48' ' ' LEU . 82.0 mt -57.98 -42.42 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 124.086 0.954 . . . . 0.0 111.315 179.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.447 HD23 HD13 ' A' ' 48' ' ' LEU . 4.1 mm? -67.11 -46.47 74.08 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.172 177.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.428 HE21 HD23 ' A' ' 57' ' ' LEU . 54.6 tp60 -59.64 -45.85 90.75 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.842 0.857 . . . . 0.0 110.992 -178.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.442 ' HB3' ' HE2' ' A' ' 58' ' ' LYS . 18.0 mm-40 -60.88 -52.21 66.01 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 124.062 0.851 . . . . 0.0 110.524 179.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.527 ' HB2' HD12 ' A' ' 14' ' ' LEU . 68.6 t60 -55.88 -41.26 74.17 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.322 0.649 . . . . 0.0 111.339 -178.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -60.42 -58.47 8.35 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.251 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.428 HD23 HE21 ' A' ' 53' ' ' GLN . 4.5 pp -74.14 -28.56 61.39 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.968 0.507 . . . . 0.0 112.239 -171.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.442 ' HE2' ' HB3' ' A' ' 54' ' ' GLN . 68.5 mttm -67.67 -48.49 66.47 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 176.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 49.0 ttm -68.0 -29.89 69.02 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 123.92 0.763 . . . . 0.0 111.128 177.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -71.95 -44.47 63.53 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 122.916 0.486 . . . . 0.0 111.188 -177.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -69.68 -39.99 76.66 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.693 -174.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.72 -34.76 72.26 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 123.336 0.398 . . . . 0.0 109.961 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -60.97 -44.0 97.98 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.369 1.068 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -65.65 -48.15 73.11 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.701 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.04 -44.92 95.67 Favored 'General case' 0 CA--C 1.548 0.887 0 O-C-N 123.795 0.685 . . . . 0.0 112.221 -175.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -72.16 -19.62 61.73 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.389 0.675 . . . . 0.0 112.393 -172.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -109.33 -65.11 1.17 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 122.848 0.459 . . . . 0.0 109.79 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -83.06 82.52 8.21 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.648 0.779 . . . . 0.0 109.401 175.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -84.89 90.3 7.76 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 176.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.86 122.75 31.06 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.979 0.911 . . . . 0.0 109.799 -178.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt . . . . . 0 CA--C 1.561 1.4 0 C-N-CA 124.044 0.937 . . . . 0.0 109.238 178.652 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 83.8 m95 . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.607 0.241 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.5 m -71.34 155.6 40.47 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.683 1.193 . . . . 0.0 109.58 172.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.408 ' HA ' ' HB2' ' A' ' 6' ' ' MET . 42.0 mt-10 -61.04 -20.99 63.19 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -178.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -66.25 -55.59 15.42 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.337 0.655 . . . . 0.0 110.688 174.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -74.89 -27.78 60.37 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.561 0.745 . . . . 0.0 111.452 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.408 ' HB2' ' HA ' ' A' ' 3' ' ' GLU . 8.6 mmt -59.62 -45.57 91.56 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.894 0.878 . . . . 0.0 110.167 169.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.31 -36.3 92.57 Favored Glycine 0 C--N 1.343 0.963 0 CA-C-N 114.979 -1.01 . . . . 0.0 112.735 175.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.3 m -69.29 -33.52 73.33 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.544 0.738 . . . . 0.0 111.13 176.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.4 ' HA ' HG11 ' A' ' 27' ' ' VAL . . . -76.22 -38.37 56.5 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.452 0.701 . . . . 0.0 110.286 178.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -67.1 -47.49 71.04 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.458 0.703 . . . . 0.0 109.761 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -72.04 -31.95 66.65 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.974 0.91 . . . . 0.0 110.078 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.86 -56.38 14.86 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.893 176.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.466 HD23 HG13 ' A' ' 23' ' ' ILE . 44.8 mt -61.28 -32.19 72.02 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.111 0.964 . . . . 0.0 111.051 177.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.2 tp -58.36 -57.83 11.16 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.828 0.851 . . . . 0.0 110.133 175.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -78.77 -59.98 2.56 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.763 0.825 . . . . 0.0 112.517 -171.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -79.76 -7.1 58.44 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.697 0.799 . . . . 0.0 111.724 -170.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.531 ' HA2' HD11 ' A' ' 52' ' ' LEU . . . 87.13 -174.71 45.83 Favored Glycine 0 C--N 1.343 0.968 0 N-CA-C 112.062 -0.415 . . . . 0.0 112.062 -176.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -86.06 35.43 0.64 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.479 0.712 . . . . 0.0 111.171 178.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -81.34 95.86 7.14 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.259 1.024 . . . . 0.0 108.261 178.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.509 ' HE3' ' HG ' ' A' ' 35' ' ' CYS . 26.8 m95 -60.23 -32.23 70.93 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.693 0.797 . . . . 0.0 112.025 -168.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.414 ' HA ' HG22 ' A' ' 32' ' ' VAL . 32.2 t -65.53 -39.0 91.27 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.398 0.679 . . . . 0.0 111.395 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.81 -46.36 58.45 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.429 0.692 . . . . 0.0 110.476 -177.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.554 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 24.9 mm -73.34 -29.92 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.136 -175.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.444 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . . . -62.63 -32.28 73.29 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.175 0.59 . . . . 0.0 112.235 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -81.45 -37.82 27.4 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 175.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.3 ttt -64.63 -59.47 4.24 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.25 0.62 . . . . 0.0 111.189 -176.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 23' ' ' ILE . 13.1 m -88.04 -46.2 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.233 0.613 . . . . 0.0 112.305 -178.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.1 -43.81 7.93 Favored Glycine 0 C--N 1.349 1.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 113.193 -171.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.3 m 55.35 29.13 12.47 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.927 1.291 . . . . 0.0 111.845 -173.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -139.04 -80.91 0.31 Allowed 'General case' 0 C--N 1.354 0.778 0 C-N-CA 122.392 0.277 . . . . 0.0 111.403 -169.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.414 HG22 ' H ' ' A' ' 33' ' ' SER . 27.6 m -139.94 151.72 45.79 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.569 0.748 . . . . 0.0 110.227 -174.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.444 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 95.3 t -63.75 -32.8 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 123.599 0.76 . . . . 0.0 111.79 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.414 ' H ' HG22 ' A' ' 31' ' ' THR . 21.7 m -57.37 -26.78 61.57 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.957 0.903 . . . . 0.0 112.532 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -63.34 -52.18 62.85 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.8 0.44 . . . . 0.0 110.846 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.554 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 53.0 t -74.82 -32.01 61.84 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.521 -178.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -74.41 -47.45 33.79 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.627 0.771 . . . . 0.0 111.101 -176.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -74.79 -20.01 59.96 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.336 0.654 . . . . 0.0 111.036 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -58.99 -37.79 77.67 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.087 0.555 . . . . 0.0 109.879 170.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -71.55 -18.56 62.25 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.214 1.005 . . . . 0.0 111.721 -176.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.2 m-30 -74.98 -14.24 60.6 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.267 0.627 . . . . 0.0 111.144 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.455 HD22 ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -142.02 165.72 26.66 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.976 0.911 . . . . 0.0 110.069 -178.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 54.8 t80 65.72 2.72 2.21 Favored 'General case' 0 N--CA 1.498 1.948 0 C-N-CA 123.97 0.908 . . . . 0.0 112.172 177.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 47' ' ' ASN . 26.9 ttpp -81.75 -13.41 57.82 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.809 1.244 . . . . 0.0 111.461 -171.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.64 -31.0 20.02 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.043 0.537 . . . . 0.0 109.936 173.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -76.93 91.01 3.55 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.159 0.584 . . . . 0.0 109.905 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 59.88 85.86 0.1 Allowed 'General case' 0 C--N 1.36 1.062 0 C-N-CA 124.926 1.29 . . . . 0.0 109.074 -169.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.539 HD22 ' HB3' ' A' ' 49' ' ' ASP . 4.9 p-10 -59.68 127.0 29.84 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-O 121.521 0.676 . . . . 0.0 111.01 -170.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.24 -22.1 66.82 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.05 1.34 . . . . 0.0 110.862 -173.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.539 ' HB3' HD22 ' A' ' 47' ' ' ASN . 27.7 t70 -64.07 -38.49 91.27 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.628 0.771 . . . . 0.0 111.189 173.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -70.79 -34.35 71.67 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.265 0.626 . . . . 0.0 110.402 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.4 mt -62.74 -43.42 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.302 0.641 . . . . 0.0 109.703 177.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.531 HD11 ' HA2' ' A' ' 17' ' ' GLY . 4.3 mm? -68.77 -35.39 76.99 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.549 175.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.98 -36.96 75.6 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 122.976 0.511 . . . . 0.0 110.381 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -66.5 -40.63 89.34 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.196 0.598 . . . . 0.0 110.173 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -65.37 -37.05 85.85 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 123.718 0.636 . . . . 0.0 110.31 176.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -67.68 -61.41 1.9 Allowed 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.549 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 pp -62.48 -36.48 82.62 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.749 0.819 . . . . 0.0 111.569 -171.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -64.03 -60.07 3.69 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 123.51 0.506 . . . . 0.0 110.048 175.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 51.3 ttm -60.24 -30.71 69.59 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 123.742 0.651 . . . . 0.0 111.248 -176.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -65.73 -60.1 3.24 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.918 0.887 . . . . 0.0 109.845 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -71.35 -33.58 69.72 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.908 -171.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.32 -30.61 57.76 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.465 0.306 . . . . 0.0 110.682 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -67.74 -55.0 14.79 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 174.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -60.26 -31.52 70.29 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 123.307 0.379 . . . . 0.0 111.203 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.04 -51.55 63.61 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.311 0.644 . . . . 0.0 111.009 176.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -76.71 -9.96 59.04 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 122.787 0.435 . . . . 0.0 111.339 -178.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -96.19 4.4 52.47 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.425 0.69 . . . . 0.0 111.134 172.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -132.65 37.29 3.49 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-O 122.038 0.923 . . . . 0.0 109.159 168.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.422 ' HA ' ' HE2' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -74.02 85.76 1.81 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 114.331 -1.304 . . . . 0.0 109.832 176.092 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.49 97.46 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 125.435 1.494 . . . . 0.0 112.425 -178.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.557 1.238 0 C-N-CA 124.459 1.103 . . . . 0.0 110.083 174.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 55.5 m95 . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 120.735 0.303 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 34.1 m -107.47 161.58 14.7 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 124.405 1.082 . . . . 0.0 109.069 176.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -53.91 -19.23 4.24 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -56.16 -58.98 5.62 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-O 121.353 0.597 . . . . 0.0 110.575 171.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -81.18 -34.32 32.43 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.102 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 89.3 mtp -75.33 -23.29 57.24 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.407 0.683 . . . . 0.0 112.022 -177.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.1 -42.42 58.7 Favored Glycine 0 C--N 1.338 0.674 0 N-CA-C 111.642 -0.583 . . . . 0.0 111.642 174.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.9 m -68.44 -36.73 79.45 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.349 0.66 . . . . 0.0 110.583 175.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.77 -48.95 74.88 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.425 0.69 . . . . 0.0 110.09 176.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -61.04 -41.26 96.25 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.653 1.181 . . . . 0.0 110.836 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -62.66 -39.72 94.78 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.454 0.702 . . . . 0.0 109.559 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.27 -42.01 96.44 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.513 176.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.486 HD13 HD23 ' A' ' 48' ' ' LEU . 35.4 mt -67.19 -32.77 74.07 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.872 0.869 . . . . 0.0 110.766 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 tt -80.93 -31.69 34.94 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.655 0.782 . . . . 0.0 111.881 177.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -84.41 -60.09 2.18 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-O 121.29 0.567 . . . . 0.0 110.59 -175.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -81.04 -57.84 3.34 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.452 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 135.17 -163.72 24.84 Favored Glycine 0 C--N 1.341 0.806 0 CA-C-N 114.302 -1.317 . . . . 0.0 110.561 -170.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -83.96 24.62 0.89 Allowed 'General case' 0 CA--C 1.565 1.544 0 CA-C-N 117.642 0.721 . . . . 0.0 111.218 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.452 ' O ' HG12 ' A' ' 23' ' ' ILE . 1.8 m-20 -67.93 96.26 0.58 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.611 1.164 . . . . 0.0 109.299 -179.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -50.77 -47.83 59.46 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.854 1.261 . . . . 0.0 112.542 -167.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.9 t -61.98 -44.42 96.78 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.724 0.81 . . . . 0.0 111.64 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.72 -33.23 75.19 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.759 0.424 . . . . 0.0 111.474 -177.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.52 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 10.5 mm -82.03 -39.2 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-O 121.038 0.446 . . . . 0.0 110.294 179.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.97 -39.17 90.15 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.995 0.918 . . . . 0.0 111.693 -176.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -81.11 -23.5 38.35 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.796 0.838 . . . . 0.0 110.915 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.2 ttt -72.27 -59.79 2.56 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.946 0.498 . . . . 0.0 110.67 177.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.3 m -85.62 -48.96 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 122.706 0.403 . . . . 0.0 111.798 -174.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.09 -30.08 32.31 Favored Glycine 0 C--N 1.344 0.974 0 CA-C-O 119.768 -0.462 . . . . 0.0 113.773 -176.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.1 t 61.59 32.44 18.6 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.372 1.069 . . . . 0.0 109.674 -169.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.526 ' HG3' ' H ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -135.24 -178.19 4.99 Favored 'General case' 0 CA--C 1.556 1.193 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.823 -168.44 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.526 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 20.3 m -47.75 148.79 1.43 Allowed 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 126.21 1.804 . . . . 0.0 113.412 -179.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.1 p -50.9 -31.21 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 C-N-CA 124.996 1.318 . . . . 0.0 112.829 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.2 m -57.39 -32.86 67.24 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.114 1.366 . . . . 0.0 112.504 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.77 -55.22 37.02 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.242 1.017 . . . . 0.0 111.655 -173.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.52 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 34.6 t -70.55 -29.45 65.91 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 120.984 0.421 . . . . 0.0 111.191 -178.178 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -72.07 -33.84 68.25 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.566 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -78.03 -22.01 49.87 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.069 0.548 . . . . 0.0 111.095 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -65.16 -30.92 71.88 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.057 0.543 . . . . 0.0 110.36 170.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.53 ' HE1' ' HG ' ' A' ' 48' ' ' LEU . 16.2 t80 -63.41 -28.76 70.2 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.702 0.801 . . . . 0.0 112.713 -171.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -84.92 -23.62 28.77 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.654 0.781 . . . . 0.0 110.522 -178.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -103.13 154.74 18.99 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.723 0.809 . . . . 0.0 110.064 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 66.84 -10.13 0.32 Allowed 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 124.703 1.201 . . . . 0.0 113.882 175.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -65.7 -11.01 41.6 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.164 0.986 . . . . 0.0 112.74 -175.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -49.19 -51.58 31.94 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.039 1.336 . . . . 0.0 111.631 173.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -113.26 -14.89 12.79 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.7 0.8 . . . . 0.0 111.623 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.44 96.22 5.32 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -179.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -76.72 88.49 3.37 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 172.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.53 ' HG ' ' HE1' ' A' ' 39' ' ' TYR . 3.3 tm? -65.24 -35.75 82.01 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.817 171.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -59.26 -33.74 71.4 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.512 178.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -64.15 -53.61 46.74 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.456 0.702 . . . . 0.0 109.918 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.2 mt -58.23 -49.43 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.381 -174.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -73.99 -41.61 61.66 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 114.657 -1.156 . . . . 0.0 111.728 -174.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -63.8 -42.53 97.7 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 122.715 0.406 . . . . 0.0 110.84 -177.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -68.02 -45.88 72.77 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.266 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -59.77 -40.84 89.57 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 122.459 0.304 . . . . 0.0 110.372 174.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -59.66 -54.46 46.2 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.415 1.086 . . . . 0.0 111.431 -176.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 pp -74.9 -30.18 61.21 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -175.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.534 ' HA ' ' HE3' ' A' ' 61' ' ' LYS . 67.1 mttm -66.51 -47.69 72.16 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 122.641 0.376 . . . . 0.0 110.254 176.095 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 51.9 ttp -67.41 -34.77 77.95 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 114.966 -1.016 . . . . 0.0 111.017 -177.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -74.74 -44.54 49.31 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.535 0.734 . . . . 0.0 110.758 -173.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.534 ' HE3' ' HA ' ' A' ' 58' ' ' LYS . 22.5 pttp -65.89 -39.19 90.4 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.68 0.392 . . . . 0.0 111.198 -175.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.88 -23.89 52.59 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.8 177.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -64.13 -48.58 75.53 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 176.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -59.97 -40.97 90.89 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.513 0.325 . . . . 0.0 110.79 176.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.73 -35.88 81.16 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.552 0.741 . . . . 0.0 112.168 -178.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -87.14 -6.71 58.55 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 122.842 0.457 . . . . 0.0 111.416 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -106.99 16.34 24.34 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.078 0.551 . . . . 0.0 111.852 177.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -130.09 111.36 12.39 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 121.389 0.614 . . . . 0.0 111.234 176.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -107.57 52.76 0.71 Allowed 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 168.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.0 85.18 1.78 Allowed 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.158 -0.928 . . . . 0.0 108.623 -177.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.2 tptt . . . . . 0 CA--C 1.55 0.943 0 CA-C-N 114.319 -1.309 . . . . 0.0 108.791 -178.486 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 75.1 m95 . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.9 m -76.17 170.28 16.6 Favored 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 124.438 1.095 . . . . 0.0 109.481 171.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -61.72 -21.57 64.61 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -171.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -72.18 -51.74 19.8 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.845 0.858 . . . . 0.0 110.916 -176.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -77.7 -29.69 51.45 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.618 0.767 . . . . 0.0 110.321 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 45.5 tpp -59.14 -38.06 78.77 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.067 0.947 . . . . 0.0 109.862 168.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.77 -28.07 59.72 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-N 115.184 -0.917 . . . . 0.0 113.307 177.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 m -72.29 -33.16 67.21 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.101 0.561 . . . . 0.0 109.638 173.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.79 -29.36 50.8 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.957 0.903 . . . . 0.0 110.755 175.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.543 ' HG2' HD13 ' A' ' 51' ' ' ILE . 4.9 tmtm? -63.86 -47.58 80.16 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.666 0.786 . . . . 0.0 108.969 172.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -63.68 -41.58 98.13 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.756 1.222 . . . . 0.0 110.785 176.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.84 -58.88 8.27 Favored Glycine 0 C--N 1.343 0.95 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.124 -178.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.409 HD23 HG13 ' A' ' 23' ' ' ILE . 23.5 mt -59.61 -30.29 68.58 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.205 1.002 . . . . 0.0 110.771 -179.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 tt -60.93 -61.76 2.35 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 172.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -67.92 -59.94 2.89 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.548 0.739 . . . . 0.0 110.703 -170.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.469 ' HB2' HD11 ' A' ' 23' ' ' ILE . 76.8 m-70 -64.89 -25.61 67.97 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 115.201 -0.908 . . . . 0.0 111.52 -176.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.34 63.61 2.34 Favored Glycine 0 C--N 1.352 1.423 0 O-C-N 123.159 0.287 . . . . 0.0 112.634 175.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.414 ' HB2' HD11 ' A' ' 52' ' ' LEU . 28.5 ttp180 56.6 24.07 8.39 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.334 1.454 . . . . 0.0 113.611 177.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.474 ' O ' HG12 ' A' ' 23' ' ' ILE . 6.8 m-80 -77.61 84.47 3.98 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 174.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.781 ' HE3' ' HG ' ' A' ' 35' ' ' CYS . 68.5 m95 -55.46 -31.47 61.99 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.758 1.223 . . . . 0.0 112.207 -169.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.3 t -63.9 -50.33 69.17 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.338 0.655 . . . . 0.0 110.078 176.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.72 -34.47 77.24 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.47 -178.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.523 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 20.1 mm -78.66 -41.98 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.319 0.648 . . . . 0.0 110.072 -176.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.74 -31.0 71.15 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.951 178.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.8 mtp85 -82.03 -38.14 25.44 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.688 0.795 . . . . 0.0 111.252 175.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.1 ttt -71.04 -62.61 1.33 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.154 0.582 . . . . 0.0 111.373 -175.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.3 m -89.77 -36.89 9.05 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 C-N-CA 123.568 0.747 . . . . 0.0 112.134 -177.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.37 -36.96 13.0 Favored Glycine 0 C--N 1.348 1.232 0 CA-C-N 115.879 -0.6 . . . . 0.0 113.992 -175.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 t 66.64 31.45 7.71 Favored 'General case' 0 CA--C 1.561 1.4 0 C-N-CA 124.673 1.189 . . . . 0.0 111.513 -176.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.491 ' HG2' ' H ' ' A' ' 31' ' ' THR . 64.4 tttt -157.91 -170.14 3.07 Favored 'General case' 0 CA--C 1.565 1.53 0 C-N-CA 123.243 0.617 . . . . 0.0 110.424 -175.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.491 ' H ' ' HG2' ' A' ' 30' ' ' LYS . 16.4 m -61.93 157.09 19.27 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.653 1.181 . . . . 0.0 113.303 -174.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.6 t -44.66 -36.31 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 C-N-CA 126.131 1.772 . . . . 0.0 112.93 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.2 t -48.94 -44.46 40.6 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.053 1.341 . . . . 0.0 112.455 -179.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -62.8 -37.58 87.3 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.215 0.606 . . . . 0.0 112.092 -175.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.781 ' HG ' ' HE3' ' A' ' 20' ' ' TRP . 49.3 t -71.25 -28.27 64.05 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 120.804 0.335 . . . . 0.0 110.79 177.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -71.48 -49.11 44.5 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.173 0.589 . . . . 0.0 111.634 177.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -73.13 -21.6 60.69 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.814 0.445 . . . . 0.0 111.073 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -58.13 -41.34 83.47 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.509 1.124 . . . . 0.0 110.854 170.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -63.13 -32.35 73.71 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.124 -173.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -92.43 177.34 6.16 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.18 0.992 . . . . 0.0 109.728 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 78.31 -52.33 0.49 Allowed 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 125.445 1.498 . . . . 0.0 112.126 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -87.19 179.0 6.72 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.591 0.757 . . . . 0.0 110.816 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -73.47 89.23 1.65 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 122.817 0.447 . . . . 0.0 110.695 -177.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -90.42 46.19 1.32 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.258 0.623 . . . . 0.0 109.83 173.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -79.01 72.05 5.5 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.037 0.935 . . . . 0.0 110.134 -176.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 43.97 20.09 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.954 0 C-N-CA 127.006 2.122 . . . . 0.0 115.22 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -71.57 -57.92 3.96 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -177.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.454 ' HA ' HD12 ' A' ' 51' ' ' ILE . 2.5 tm? -67.13 -28.55 68.23 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.626 0.77 . . . . 0.0 110.45 179.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -60.33 -42.38 95.54 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.367 0.667 . . . . 0.0 110.747 176.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 37.5 tt0 -68.42 -50.14 54.85 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.044 176.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.543 HD13 ' HG2' ' A' ' 10' ' ' LYS . 95.0 mt -50.59 -44.47 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 C-N-CA 124.346 1.058 . . . . 0.0 111.258 -178.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.414 HD11 ' HB2' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -70.17 -44.19 69.28 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.484 -177.128 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -66.64 -38.52 87.08 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.086 -178.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 79.7 mm-40 -69.3 -45.61 69.16 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -59.31 -36.35 75.46 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 122.857 0.463 . . . . 0.0 110.67 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -62.76 -55.69 24.26 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 123.73 0.644 . . . . 0.0 110.515 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 pp -71.72 -32.35 67.68 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 123.604 0.565 . . . . 0.0 111.868 -173.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -65.15 -55.87 16.16 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.358 0.663 . . . . 0.0 109.379 176.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 45.3 ttp -54.73 -45.75 74.15 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 124.35 1.031 . . . . 0.0 110.972 178.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -61.37 -47.99 83.33 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.632 0.773 . . . . 0.0 111.437 -173.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -73.9 -41.59 61.92 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.36 -174.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.5 -32.33 66.09 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 120.638 0.256 . . . . 0.0 110.858 -177.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -72.47 -39.47 67.7 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.616 177.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -70.57 -29.0 65.32 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 122.964 0.506 . . . . 0.0 110.609 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.49 -27.62 31.67 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.708 0.803 . . . . 0.0 111.921 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -85.41 -25.4 27.02 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 122.557 0.343 . . . . 0.0 110.13 174.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.3 mmm180 -76.3 -19.56 58.14 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 165.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 84.5 tttt 69.0 28.07 5.22 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 124.987 1.315 . . . . 0.0 111.251 165.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -117.81 -173.5 2.45 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.548 0.739 . . . . 0.0 110.88 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? 64.84 79.08 0.26 Allowed 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.516 1.526 . . . . 0.0 109.42 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.161 0 C-N-CA 124.417 1.087 . . . . 0.0 109.943 177.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 66.2 m95 . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.5 m -69.8 161.58 29.56 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.943 0.897 . . . . 0.0 109.406 172.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -53.27 -35.54 60.16 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.035 0.934 . . . . 0.0 112.318 -173.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -60.55 -56.96 15.05 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.286 0.634 . . . . 0.0 111.378 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -74.12 -30.67 62.43 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.795 0.838 . . . . 0.0 111.228 -176.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 48.6 tpp -60.45 -43.72 96.59 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.309 1.044 . . . . 0.0 109.779 172.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.68 -28.25 65.62 Favored Glycine 0 C--N 1.351 1.391 0 CA-C-N 114.941 -1.027 . . . . 0.0 112.956 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.4 m -69.93 -42.44 73.26 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.052 0.541 . . . . 0.0 109.806 175.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.17 -54.23 40.88 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.518 177.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -49.43 -44.84 45.78 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.402 1.481 . . . . 0.0 111.805 175.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -62.19 -50.77 70.46 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.854 0.722 . . . . 0.0 110.683 -178.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.57 -31.2 79.96 Favored Glycine 0 C--N 1.346 1.128 0 O-C-N 124.063 0.852 . . . . 0.0 113.45 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.623 HD13 HD23 ' A' ' 48' ' ' LEU . 78.3 mt -78.31 -33.72 49.17 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.828 0.851 . . . . 0.0 110.697 179.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 tt -76.67 -25.94 54.24 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.49 0.716 . . . . 0.0 109.498 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -90.81 -63.03 1.33 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.378 0.671 . . . . 0.0 111.798 -176.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -82.1 -51.22 8.21 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.809 0.844 . . . . 0.0 110.324 -175.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.422 ' HA2' HD21 ' A' ' 52' ' ' LEU . . . 88.75 92.76 1.09 Allowed Glycine 0 C--N 1.343 0.956 0 CA-C-N 115.866 -0.606 . . . . 0.0 113.488 177.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 67.68 7.47 5.69 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 170.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.506 ' O ' HG12 ' A' ' 23' ' ' ILE . 19.5 m120 -79.93 77.13 6.62 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.588 ' HE3' ' SG ' ' A' ' 35' ' ' CYS . 14.2 m95 -56.1 -29.14 60.18 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.25 1.02 . . . . 0.0 112.045 -170.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.406 ' HA ' HG22 ' A' ' 32' ' ' VAL . 29.0 p -59.41 -51.72 68.67 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.887 0.875 . . . . 0.0 110.759 175.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.33 -40.05 81.74 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.234 -0.893 . . . . 0.0 111.126 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.622 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 18.3 mm -68.31 -41.77 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 O-C-N 123.499 0.499 . . . . 0.0 110.113 -175.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.11 -34.02 77.09 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.436 0.694 . . . . 0.0 111.543 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -79.75 -24.5 41.52 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.952 176.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.8 ttt -73.33 -55.79 5.94 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.481 0.712 . . . . 0.0 110.62 178.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 23' ' ' ILE . 28.6 m -85.64 -52.0 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 122.976 0.51 . . . . 0.0 111.621 -177.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.99 -37.1 11.84 Favored Glycine 0 C--N 1.341 0.832 0 CA-C-O 119.918 -0.379 . . . . 0.0 113.412 -174.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.7 t 64.31 21.48 12.52 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.287 1.035 . . . . 0.0 109.81 -163.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -120.99 -166.42 1.34 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.722 1.209 . . . . 0.0 110.144 -171.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 86.9 m -64.77 157.6 27.13 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 124.767 1.227 . . . . 0.0 111.895 179.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.406 HG22 ' HA ' ' A' ' 21' ' ' SER . 81.3 t -49.25 -30.0 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 C-N-CA 125.351 1.461 . . . . 0.0 112.725 179.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.4 m -46.83 -47.83 21.01 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.434 1.494 . . . . 0.0 112.331 178.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -61.12 -33.15 72.92 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 124.076 0.951 . . . . 0.0 112.863 -175.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.622 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 50.1 t -74.82 -37.56 62.26 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.055 0.455 . . . . 0.0 110.639 177.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -69.31 -28.24 66.09 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.949 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.03 -53.67 55.72 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.453 0.701 . . . . 0.0 109.87 174.07 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -50.84 -40.0 54.78 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.596 0.758 . . . . 0.0 111.789 177.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.489 ' HE1' HD12 ' A' ' 48' ' ' LEU . 26.0 t80 -63.12 -33.52 75.64 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.389 -173.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -111.75 7.18 20.18 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.459 0.704 . . . . 0.0 111.958 -177.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -109.1 20.94 17.8 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.346 0.658 . . . . 0.0 111.508 178.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -141.91 139.23 32.49 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 177.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -136.98 110.56 8.01 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.425 0.69 . . . . 0.0 110.219 -175.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 83.2 tttt 179.76 163.32 1.01 Allowed 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.017 1.327 . . . . 0.0 107.976 176.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.9 ttt85 -65.63 -45.72 81.99 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 118.79 0.723 . . . . 0.0 109.465 168.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -71.69 80.66 0.84 Allowed 'General case' 0 C--N 1.351 0.672 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.663 174.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -139.65 -165.33 1.85 Allowed 'General case' 0 C--O 1.244 0.779 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.771 -178.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.623 HD23 HD13 ' A' ' 13' ' ' LEU . 2.8 tm? -51.24 -33.92 30.16 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.173 0.989 . . . . 0.0 111.922 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -50.72 -54.97 18.89 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.787 0.835 . . . . 0.0 112.281 -178.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 12.3 pt-20 -84.17 -21.96 31.14 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 118.998 -0.525 . . . . 0.0 112.114 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.73 -38.26 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 CA-C-O 121.312 0.577 . . . . 0.0 109.878 173.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.485 HD23 HD21 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -79.93 -30.07 39.87 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.384 179.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.412 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 23.2 tp60 -59.52 -41.43 89.96 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 170.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 87.3 mm-40 -62.83 -53.71 50.11 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 123.857 0.723 . . . . 0.0 109.914 174.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -50.94 -38.13 48.45 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.319 0.647 . . . . 0.0 111.364 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -67.12 -62.31 1.49 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.636 0.774 . . . . 0.0 110.248 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 pp -68.42 -31.9 71.57 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 123.584 0.553 . . . . 0.0 112.251 -168.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -65.32 -54.47 28.6 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.697 0.799 . . . . 0.0 111.32 -176.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 65.0 ttp -69.24 -37.85 78.2 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.587 0.555 . . . . 0.0 110.191 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -65.58 -47.9 74.21 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.161 0.584 . . . . 0.0 110.906 -174.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.37 -38.87 81.79 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.896 0.478 . . . . 0.0 111.398 -174.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -77.45 -26.54 51.6 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 123.389 0.431 . . . . 0.0 110.291 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -71.8 -44.48 63.88 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 122.967 0.507 . . . . 0.0 109.738 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.505 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 68.1 m-80 -61.19 -44.4 97.35 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 173.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.7 97.61 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 124.062 0.851 . . . . 0.0 112.442 -177.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -76.98 -29.54 55.55 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 122.68 0.392 . . . . 0.0 111.744 -174.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -73.37 -53.13 11.49 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 122.889 0.475 . . . . 0.0 110.952 -177.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 64' ' ' ASN . 22.3 pttp -93.77 16.86 13.06 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 122.823 0.449 . . . . 0.0 111.621 -176.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -59.46 102.0 0.12 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.677 0.791 . . . . 0.0 111.182 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -161.34 131.29 4.89 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 124.271 1.029 . . . . 0.0 108.751 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt . . . . . 0 CA--C 1.559 1.299 0 C-N-CA 123.267 0.627 . . . . 0.0 109.94 177.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 37.6 m95 . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.1 m -68.81 153.11 44.37 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.42 0.688 . . . . 0.0 109.782 171.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.54 ' HA ' ' HB2' ' A' ' 6' ' ' MET . 45.2 mt-10 -53.5 -19.64 3.93 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.118 0.967 . . . . 0.0 113.419 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -63.48 -57.14 11.17 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.535 0.734 . . . . 0.0 110.87 176.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 pm0 -76.98 -28.64 55.19 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.051 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.54 ' HB2' ' HA ' ' A' ' 3' ' ' GLU . 87.9 mmm -61.89 -38.46 88.4 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.975 0.51 . . . . 0.0 110.777 172.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.16 -40.95 71.03 Favored Glycine 0 C--N 1.345 1.047 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.317 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.5 m -68.67 -30.61 69.33 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.225 0.61 . . . . 0.0 110.671 176.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.0 -48.97 40.92 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.282 0.633 . . . . 0.0 109.422 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -57.31 -40.78 78.6 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.575 1.15 . . . . 0.0 110.463 175.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -63.59 -44.62 93.48 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.633 0.773 . . . . 0.0 109.623 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.408 ' HA2' ' HD2' ' A' ' 16' ' ' HIS . . . -60.57 -39.64 96.74 Favored Glycine 0 C--N 1.344 1.02 0 O-C-N 123.812 0.695 . . . . 0.0 112.524 177.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.546 HD13 HD23 ' A' ' 48' ' ' LEU . 26.4 mt -76.67 -26.48 54.84 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 123.892 0.877 . . . . 0.0 110.599 -178.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.8 tp -80.23 -24.77 39.96 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.298 1.039 . . . . 0.0 111.952 173.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -108.86 -64.18 1.26 Allowed 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.486 0.714 . . . . 0.0 111.502 -173.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.408 ' HD2' ' HA2' ' A' ' 12' ' ' GLY . 74.5 m-70 -77.09 -16.59 59.15 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.734 0.814 . . . . 0.0 110.799 179.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.93 -147.63 23.95 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-N 115.77 -0.65 . . . . 0.0 113.16 175.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -82.41 -2.19 52.35 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.09 0.956 . . . . 0.0 111.734 -173.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.501 ' O ' HG12 ' A' ' 23' ' ' ILE . 56.9 t-20 -62.97 92.06 0.05 OUTLIER 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.642 0.777 . . . . 0.0 109.447 -176.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.577 ' HE3' ' HG ' ' A' ' 35' ' ' CYS . 20.0 m95 -57.52 -30.76 65.43 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.908 0.883 . . . . 0.0 111.283 -174.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.2 t -66.79 -44.71 80.56 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.489 0.715 . . . . 0.0 110.223 177.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.9 -35.59 77.03 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.743 0.417 . . . . 0.0 111.525 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.501 HG12 ' O ' ' A' ' 19' ' ' ASN . 11.5 mm -75.76 -42.55 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -178.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.66 -30.63 71.65 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.076 0.551 . . . . 0.0 110.625 177.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -77.27 -31.74 55.08 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.097 0.959 . . . . 0.0 110.547 177.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.2 ttt -78.0 -63.51 1.37 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.621 0.768 . . . . 0.0 111.656 -178.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 23' ' ' ILE . 18.8 m -88.4 -37.49 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 123.363 0.665 . . . . 0.0 112.2 -174.217 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.21 -27.48 44.34 Favored Glycine 0 C--N 1.344 1.011 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.638 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.8 t 63.85 18.41 11.14 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 124.834 1.254 . . . . 0.0 111.058 -174.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.462 ' HG2' ' H ' ' A' ' 31' ' ' THR . 57.3 tttt -137.61 -173.33 3.46 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.647 0.779 . . . . 0.0 110.342 -169.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.462 ' H ' ' HG2' ' A' ' 30' ' ' LYS . 7.2 m -73.83 160.19 31.8 Favored 'General case' 0 CA--C 1.57 1.745 0 C-N-CA 123.89 0.876 . . . . 0.0 112.172 -174.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.3 p -44.89 -32.48 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 C-N-CA 126.698 1.999 . . . . 0.0 115.655 -167.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.6 t -55.44 -33.46 63.6 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.626 0.77 . . . . 0.0 112.103 -174.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -56.96 -52.78 63.87 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 122.908 0.483 . . . . 0.0 112.186 -177.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.577 ' HG ' ' HE3' ' A' ' 20' ' ' TRP . 42.5 t -81.9 -31.87 31.21 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -175.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -68.34 -38.95 81.99 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -69.74 -38.05 76.68 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 119.163 -0.446 . . . . 0.0 110.258 173.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -54.25 -29.17 45.85 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.457 0.703 . . . . 0.0 111.725 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -63.73 -32.53 74.05 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 122.802 0.441 . . . . 0.0 111.531 -177.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -100.07 -36.82 9.22 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.27 1.028 . . . . 0.0 110.463 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -60.68 -39.26 87.77 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.652 1.181 . . . . 0.0 110.097 177.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -80.58 98.97 7.86 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 106.121 -1.807 . . . . 0.0 106.121 162.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -71.65 88.2 0.96 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.364 0.666 . . . . 0.0 110.467 -165.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm 28.68 74.01 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 127.14 2.176 . . . . 0.0 114.292 173.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -150.04 -1.73 0.41 Allowed 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.741 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -87.88 145.78 25.89 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 123.552 0.741 . . . . 0.0 109.364 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -91.65 34.5 0.98 Allowed 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.492 0.717 . . . . 0.0 110.832 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.546 HD23 HD13 ' A' ' 13' ' ' LEU . 2.8 tm? -58.27 -33.62 69.61 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.911 1.285 . . . . 0.0 111.184 -177.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -54.45 -43.28 71.49 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.285 176.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -79.35 -37.25 37.91 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.039 0.536 . . . . 0.0 111.223 177.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.1 mt -57.87 -40.29 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 C-N-CA 123.016 0.526 . . . . 0.0 110.617 -177.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -75.23 -33.14 61.32 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.715 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.459 ' HG3' HD23 ' A' ' 57' ' ' LEU . 60.8 tp60 -66.98 -44.04 81.46 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 178.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -64.57 -42.46 95.63 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.795 0.838 . . . . 0.0 109.74 177.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -54.28 -44.64 72.05 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.69 0.619 . . . . 0.0 110.43 175.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -68.56 -61.42 1.83 Allowed 'General case' 0 CA--C 1.542 0.654 0 O-C-N 123.851 0.719 . . . . 0.0 111.634 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.459 HD23 ' HG3' ' A' ' 53' ' ' GLN . 4.3 pp -64.28 -32.56 74.21 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.105 0.562 . . . . 0.0 112.043 -168.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -76.13 -35.63 59.16 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.232 0.613 . . . . 0.0 110.834 177.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 49.0 tpp -63.73 -53.46 50.82 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -64.4 -28.75 69.9 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.011 0.924 . . . . 0.0 111.43 -178.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -64.44 -57.03 10.43 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.349 0.659 . . . . 0.0 110.433 177.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.87 -30.24 65.21 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.465 -178.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.4 ttp85 -74.68 -39.23 62.12 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.297 0.639 . . . . 0.0 109.879 -175.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -75.23 -27.34 59.48 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.672 0.389 . . . . 0.0 110.212 176.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.25 -33.14 69.53 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.611 0.764 . . . . 0.0 111.773 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -86.15 -26.09 25.37 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.522 0.329 . . . . 0.0 110.684 176.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -79.93 -4.26 51.63 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.073 0.549 . . . . 0.0 111.071 172.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -71.76 96.11 1.58 Allowed 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 176.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -162.84 7.36 0.05 Allowed 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 123.228 0.611 . . . . 0.0 111.752 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -63.36 109.21 1.52 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.056 0.543 . . . . 0.0 111.449 -178.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm . . . . . 0 C--O 1.253 1.274 0 C-N-CA 123.337 0.655 . . . . 0.0 109.786 177.42 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 60.8 m95 . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 120.636 0.255 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.437 HG22 ' H ' ' A' ' 4' ' ' GLU . 92.0 m -75.14 152.93 38.45 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.096 0.959 . . . . 0.0 109.437 170.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -55.33 -23.83 25.9 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.75 0.82 . . . . 0.0 112.717 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.437 ' H ' HG22 ' A' ' 2' ' ' THR . 41.1 mt-10 -73.55 -54.61 7.79 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.219 0.608 . . . . 0.0 111.159 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -68.61 -30.3 69.0 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 122.676 0.39 . . . . 0.0 110.552 178.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 47.8 ttm -68.35 -36.34 79.09 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.306 1.042 . . . . 0.0 110.097 174.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.74 -29.09 65.91 Favored Glycine 0 C--N 1.349 1.258 0 CA-C-N 115.338 -0.847 . . . . 0.0 112.758 174.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.5 m -78.58 -29.37 46.15 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.46 0.704 . . . . 0.0 109.747 176.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.516 ' O ' ' HG ' ' A' ' 13' ' ' LEU . . . -68.44 -48.16 65.31 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 173.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -53.45 -41.47 66.16 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 124.725 1.265 . . . . 0.0 110.518 172.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -64.29 -41.57 96.81 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.657 0.783 . . . . 0.0 110.599 177.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.16 -34.9 89.58 Favored Glycine 0 C--N 1.342 0.89 0 O-C-N 123.415 0.447 . . . . 0.0 113.043 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 9' ' ' ALA . 36.9 mt -76.12 -27.62 57.14 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.635 0.774 . . . . 0.0 109.909 177.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.1 tp -78.37 -26.36 46.6 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.204 1.002 . . . . 0.0 111.24 173.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -91.73 -63.21 1.28 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.567 0.747 . . . . 0.0 111.083 -174.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -90.83 -43.31 10.13 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.149 0.98 . . . . 0.0 110.68 -177.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.48 -170.29 13.32 Favored Glycine 0 C--O 1.243 0.658 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.746 -168.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.487 ' HG2' HD22 ' A' ' 13' ' ' LEU . 63.7 mtm180 -86.44 53.62 2.87 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.181 0.593 . . . . 0.0 112.093 -177.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.453 ' O ' HG12 ' A' ' 23' ' ' ILE . 19.4 t-20 -86.14 92.13 8.65 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 169.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 43.2 m95 -53.13 -46.13 68.65 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.833 1.253 . . . . 0.0 112.758 -165.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.8 t -67.22 -38.51 85.4 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.266 0.627 . . . . 0.0 111.757 -177.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.76 -41.16 79.25 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 122.723 0.409 . . . . 0.0 111.028 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.453 HG12 ' O ' ' A' ' 19' ' ' ASN . 29.7 mm -74.46 -32.52 30.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.168 -178.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.31 -25.65 61.65 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 122.829 0.451 . . . . 0.0 110.747 175.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -81.97 -29.03 32.36 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.15 0.58 . . . . 0.0 110.149 173.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.1 ttt -72.38 -62.36 1.47 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.207 0.603 . . . . 0.0 110.554 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 23' ' ' ILE . 12.2 m -89.85 -41.34 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.316 0.646 . . . . 0.0 112.286 -174.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.18 -25.89 50.21 Favored Glycine 0 C--N 1.345 1.067 0 CA-C-N 116.033 -0.531 . . . . 0.0 113.092 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.9 t 58.42 31.39 20.9 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.567 1.147 . . . . 0.0 110.613 -175.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.492 ' HG3' ' H ' ' A' ' 31' ' ' THR . 9.2 tppt? -148.8 -165.02 2.16 Favored 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 123.549 0.74 . . . . 0.0 109.457 -169.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.492 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 10.2 t -72.11 165.2 24.8 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.65 0.78 . . . . 0.0 112.513 -176.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.1 p -46.48 -35.55 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 C-N-CA 125.963 1.705 . . . . 0.0 113.976 -177.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.4 t -50.75 -36.93 39.11 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.752 1.221 . . . . 0.0 112.865 -172.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -65.3 -45.88 82.63 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.97 0.508 . . . . 0.0 112.171 -173.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 44.7 t -80.73 -37.9 29.73 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.316 0.247 . . . . 0.0 111.143 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -73.69 -49.23 26.8 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.699 0.4 . . . . 0.0 111.029 -171.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -68.16 -32.71 73.16 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 119.17 -0.443 . . . . 0.0 110.964 177.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -56.67 -42.45 79.03 Favored 'General case' 0 N--CA 1.483 1.223 0 O-C-N 123.229 0.331 . . . . 0.0 110.86 171.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -77.95 -38.31 45.55 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.555 -174.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -74.62 -24.17 58.81 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.293 0.637 . . . . 0.0 110.886 -179.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -104.92 -175.16 2.71 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.552 1.141 . . . . 0.0 109.687 172.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 50.4 t80 55.72 73.11 0.45 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.308 1.043 . . . . 0.0 110.504 177.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -63.1 162.43 11.65 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.872 0.869 . . . . 0.0 112.102 -173.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? 68.1 32.63 4.84 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.639 1.176 . . . . 0.0 110.905 -172.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.753 ' HD3' ' H ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -89.44 11.96 17.77 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 114.662 -1.154 . . . . 0.0 109.443 163.358 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -67.74 -10.6 53.97 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.559 1.544 . . . . 0.0 112.602 -178.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -61.13 -37.42 82.74 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.891 0.877 . . . . 0.0 110.331 169.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.519 ' HA ' HD12 ' A' ' 51' ' ' ILE . 2.9 tm? -64.52 -30.09 71.12 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.577 0.751 . . . . 0.0 111.012 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -54.06 -41.08 67.75 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.192 0.597 . . . . 0.0 111.259 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 34.2 tt0 -67.01 -49.08 66.44 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.538 175.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.519 HD12 ' HA ' ' A' ' 48' ' ' LEU . 77.7 mt -56.63 -39.86 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 C-N-CA 124.778 1.231 . . . . 0.0 111.439 -176.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -69.91 -41.29 74.87 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.423 -178.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -63.1 -36.15 82.63 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.393 175.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 85.0 mm-40 -63.52 -46.5 85.75 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 123.398 0.437 . . . . 0.0 109.835 -179.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -52.13 -42.53 63.39 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.755 0.822 . . . . 0.0 111.227 174.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -66.57 -52.31 46.88 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.706 0.803 . . . . 0.0 111.851 -178.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 pp -72.85 -27.06 61.7 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -172.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.427 ' HE2' ' HB3' ' A' ' 54' ' ' GLN . 65.9 mttm -65.72 -48.42 72.0 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 174.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 48.7 ttm -66.41 -36.04 81.83 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 124.296 0.998 . . . . 0.0 111.245 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -67.39 -48.11 68.33 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.018 0.927 . . . . 0.0 111.431 -178.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 pttm -65.11 -39.58 93.32 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.478 0.711 . . . . 0.0 110.556 -174.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -81.02 -28.92 35.25 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.268 0.627 . . . . 0.0 110.706 -173.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.0 ttm105 -66.45 -49.55 66.3 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 123.745 0.653 . . . . 0.0 109.713 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -66.91 -40.52 87.72 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.853 178.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.53 -44.86 81.24 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.287 0.635 . . . . 0.0 111.438 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -79.0 -38.6 36.27 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.271 -177.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -87.13 -1.25 57.75 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -173.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -106.77 11.47 30.16 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.147 0.579 . . . . 0.0 111.055 172.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -63.86 102.59 0.48 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 122.6 0.36 . . . . 0.0 110.317 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -132.25 -0.25 3.69 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.173 0.989 . . . . 0.0 111.525 -177.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? . . . . . 0 C--O 1.25 1.122 0 C-N-CA 123.353 0.661 . . . . 0.0 109.4 179.847 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 98.6 m95 . . . . . 0 N--CA 1.478 0.948 0 CA-C-O 120.786 0.327 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 48.0 m -92.79 165.1 13.09 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.227 1.011 . . . . 0.0 108.676 169.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.536 ' HA ' ' HB3' ' A' ' 6' ' ' MET . 40.3 tt0 -51.27 -25.29 5.48 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 124.713 1.205 . . . . 0.0 113.329 -178.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -63.5 -56.53 15.34 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.031 0.932 . . . . 0.0 111.176 -178.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -77.94 -29.33 49.9 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.18 0.592 . . . . 0.0 111.085 176.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.536 ' HB3' ' HA ' ' A' ' 3' ' ' GLU . 31.4 tpp -62.93 -33.28 75.02 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 123.99 0.916 . . . . 0.0 110.452 176.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.82 -30.97 50.78 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-N 115.587 -0.733 . . . . 0.0 113.01 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.8 m -74.28 -34.75 63.65 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.348 0.659 . . . . 0.0 109.927 174.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.78 -37.2 76.26 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.346 0.658 . . . . 0.0 110.108 174.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.507 ' HG2' HD13 ' A' ' 51' ' ' ILE . 1.4 tmtp? -58.96 -47.86 83.6 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.545 1.138 . . . . 0.0 109.622 172.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -64.2 -36.23 83.38 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 124.33 1.019 . . . . 0.0 110.498 -178.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.6 -46.33 90.39 Favored Glycine 0 C--N 1.345 1.058 0 O-C-N 123.748 0.655 . . . . 0.0 112.262 175.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.5 mt -70.64 -24.17 62.67 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 123.737 0.815 . . . . 0.0 110.89 179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.0 tp -77.03 -37.71 54.31 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.74 0.816 . . . . 0.0 111.219 175.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -89.35 -63.61 1.26 Allowed 'General case' 0 N--CA 1.478 0.969 0 CA-C-O 121.215 0.531 . . . . 0.0 110.663 -176.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -73.38 -38.55 65.63 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.796 -176.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.54 -162.79 16.58 Favored Glycine 0 C--N 1.338 0.67 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.173 -172.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -79.26 36.77 0.3 Allowed 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.69 0.796 . . . . 0.0 112.083 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.429 ' O ' HG12 ' A' ' 23' ' ' ILE . 71.4 m-20 -77.95 79.27 4.42 Favored 'General case' 0 C--N 1.346 0.452 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 172.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.628 ' HE3' ' HG ' ' A' ' 35' ' ' CYS . 72.6 m95 -56.15 -36.15 67.96 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.17 0.988 . . . . 0.0 112.28 -168.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.0 p -62.71 -43.1 99.67 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.417 0.687 . . . . 0.0 111.105 175.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.3 -35.82 71.42 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.097 0.559 . . . . 0.0 111.456 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.432 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 22.2 mm -74.33 -39.02 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.33 -28.53 68.74 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.973 175.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -31.82 53.32 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.343 0.657 . . . . 0.0 110.457 176.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.4 ttt -77.25 -62.63 1.59 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.651 0.78 . . . . 0.0 111.403 -175.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 23' ' ' ILE . 22.1 m -88.06 -37.97 11.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 122.96 0.504 . . . . 0.0 111.651 -173.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.77 -41.85 8.61 Favored Glycine 0 C--N 1.345 1.036 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.802 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.1 t 59.43 26.61 15.57 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.66 1.184 . . . . 0.0 110.013 -165.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -127.4 -175.41 3.44 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.213 1.405 . . . . 0.0 110.239 -174.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 56.9 m -61.92 155.37 23.7 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.082 0.953 . . . . 0.0 111.66 -179.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.2 p -48.48 -33.56 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 C-N-CA 124.566 1.146 . . . . 0.0 112.616 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.3 m -49.15 -35.84 17.71 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.304 1.442 . . . . 0.0 112.59 177.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -59.7 -52.13 66.83 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.882 0.873 . . . . 0.0 111.069 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.628 ' HG ' ' HE3' ' A' ' 20' ' ' TRP . 41.5 t -75.12 -25.99 58.86 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 122.675 0.39 . . . . 0.0 111.402 -179.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -65.81 -61.07 2.27 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 122.649 0.38 . . . . 0.0 111.359 178.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -66.83 -28.69 68.56 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.702 0.401 . . . . 0.0 110.644 -176.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -48.53 -43.61 35.52 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.574 1.15 . . . . 0.0 111.155 170.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -70.92 -23.71 62.31 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.884 -173.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -88.67 -32.83 17.82 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.342 0.657 . . . . 0.0 110.065 175.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -83.82 123.43 29.9 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.525 0.73 . . . . 0.0 112.126 -172.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 17.4 t80 70.63 20.49 5.72 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 125.436 1.494 . . . . 0.0 112.269 170.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -85.71 75.74 10.04 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 121.49 0.662 . . . . 0.0 109.819 174.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -81.5 -45.94 15.22 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 167.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -97.68 141.8 30.26 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.934 164.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -141.6 93.76 2.6 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 170.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -101.39 21.16 14.6 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.411 173.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -79.59 -26.3 41.31 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 122.801 0.441 . . . . 0.0 109.951 -176.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -64.0 -43.12 96.64 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.418 176.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -72.13 -31.72 66.26 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.304 0.242 . . . . 0.0 110.446 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.507 HD13 ' HG2' ' A' ' 10' ' ' LYS . 86.0 mt -62.72 -45.92 97.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.764 0.826 . . . . 0.0 110.471 177.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -77.96 -25.82 48.44 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.642 178.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -65.25 -53.64 41.31 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.451 0.7 . . . . 0.0 109.692 177.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -67.42 -42.66 82.86 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.005 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -61.62 -31.38 71.46 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.337 0.398 . . . . 0.0 111.519 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -72.56 -54.54 8.89 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.814 0.446 . . . . 0.0 111.066 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 pp -69.74 -26.81 64.5 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.221 0.326 . . . . 0.0 111.185 -177.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.488 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 54.9 mtpt -73.86 -40.53 63.19 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.907 0.483 . . . . 0.0 110.331 173.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 50.6 tpp -60.77 -34.38 74.38 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 123.608 0.568 . . . . 0.0 109.706 175.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -70.67 -48.74 53.31 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.604 175.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.488 ' HG2' ' HA ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.63 -34.4 75.69 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 117.865 0.302 . . . . 0.0 111.164 -173.293 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.9 -39.71 49.98 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.606 0.362 . . . . 0.0 110.72 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -69.33 -36.17 76.68 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.446 0.699 . . . . 0.0 110.481 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -68.33 -42.86 78.73 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.591 0.757 . . . . 0.0 109.842 177.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.21 -43.77 98.34 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.881 0.872 . . . . 0.0 112.079 -177.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -83.98 -3.93 58.36 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.976 -175.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -126.12 32.42 5.24 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.578 0.751 . . . . 0.0 111.174 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -81.68 -11.76 58.94 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 175.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -73.73 88.53 1.75 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.248 0.619 . . . . 0.0 109.917 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -153.79 138.19 16.73 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.124 0.57 . . . . 0.0 109.946 -175.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt . . . . . 0 CA--C 1.554 1.127 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 175.081 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 69.4 m95 . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m -105.67 168.03 9.37 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 172.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.544 ' HA ' ' HB3' ' A' ' 6' ' ' MET . 33.3 mt-10 -65.12 -18.76 65.58 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -168.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -73.26 -54.8 7.52 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.594 0.758 . . . . 0.0 110.526 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.94 -30.23 68.64 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.422 0.689 . . . . 0.0 110.508 176.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.623 ' HG3' ' HZ ' ' A' ' 38' ' ' PHE . 35.8 ttm -63.93 -34.36 77.78 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.509 1.124 . . . . 0.0 110.901 173.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.08 -41.29 71.04 Favored Glycine 0 C--N 1.35 1.328 0 O-C-N 123.667 0.604 . . . . 0.0 112.446 176.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 m -65.99 -38.29 88.12 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.476 0.71 . . . . 0.0 110.353 177.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.9 -49.19 71.44 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.612 0.765 . . . . 0.0 109.92 177.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -51.25 -41.76 60.57 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.818 1.247 . . . . 0.0 111.317 175.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -62.22 -46.27 89.6 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.26 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.6 -30.3 77.53 Favored Glycine 0 C--N 1.343 0.954 0 O-C-N 123.207 0.317 . . . . 0.0 113.292 177.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.665 HD13 HD11 ' A' ' 48' ' ' LEU . 28.4 mt -79.09 -24.57 43.38 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 124.264 1.026 . . . . 0.0 110.456 178.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 tt -79.51 -31.56 42.22 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.226 1.01 . . . . 0.0 110.21 170.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -84.68 -63.77 1.28 Allowed 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.121 0.968 . . . . 0.0 111.35 -172.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -90.36 -46.67 8.23 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.416 1.086 . . . . 0.0 110.35 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.47 -154.97 16.55 Favored Glycine 0 C--O 1.236 0.277 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.949 -171.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -78.44 24.48 0.27 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.104 0.962 . . . . 0.0 113.347 -174.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.464 ' O ' HG12 ' A' ' 23' ' ' ILE . 48.7 t-20 -71.43 82.71 0.79 Allowed 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 168.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.413 ' HE3' ' SG ' ' A' ' 35' ' ' CYS . 53.4 m95 -61.0 -26.38 67.55 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.94 0.896 . . . . 0.0 111.352 -172.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.464 ' HA ' HG22 ' A' ' 32' ' ' VAL . 17.5 m -63.43 -48.43 77.8 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.714 0.806 . . . . 0.0 110.57 177.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.74 -36.36 80.42 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.317 0.647 . . . . 0.0 111.183 -178.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' ' 19' ' ' ASN . 9.1 mm -77.54 -44.6 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.932 -174.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.54 -21.13 64.57 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.648 0.779 . . . . 0.0 112.256 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.0 ttm-85 -77.5 -32.68 54.35 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 122.71 0.404 . . . . 0.0 110.427 172.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 62.6 ttp -77.28 -60.38 2.39 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.024 0.53 . . . . 0.0 111.059 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 23' ' ' ILE . 32.0 m -86.11 -41.7 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 123.413 0.685 . . . . 0.0 112.175 -173.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.79 -44.13 7.93 Favored Glycine 0 C--N 1.346 1.102 0 N-CA-C 111.842 -0.503 . . . . 0.0 111.842 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.3 m 60.54 14.77 5.11 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 125.195 1.398 . . . . 0.0 112.186 -171.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -126.7 -86.46 0.6 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.295 0.638 . . . . 0.0 111.324 -171.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.478 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 17.1 m -126.4 142.23 51.61 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.777 0.431 . . . . 0.0 110.716 -165.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.464 HG22 ' HA ' ' A' ' 21' ' ' SER . 62.8 t -67.67 -34.56 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 C-N-CA 123.799 0.84 . . . . 0.0 111.446 -178.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.8 t -57.77 -34.5 69.64 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.47 1.108 . . . . 0.0 113.099 -172.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 31' ' ' THR . 9.8 pt20 -71.73 -37.1 70.64 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -174.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.413 ' SG ' ' HE3' ' A' ' 20' ' ' TRP . 37.6 t -76.66 -31.14 57.11 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.22 -45.52 80.41 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.173 175.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -69.33 -35.05 75.54 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.779 0.831 . . . . 0.0 111.069 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.623 ' HZ ' ' HG3' ' A' ' 6' ' ' MET . 49.5 t80 -48.39 -40.96 27.48 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 125.453 1.501 . . . . 0.0 112.519 -175.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -55.89 -39.37 71.48 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 113.93 -1.486 . . . . 0.0 112.407 -173.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -121.22 0.87 10.2 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.071 0.948 . . . . 0.0 111.572 -175.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -62.09 -61.42 2.49 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.007 0.923 . . . . 0.0 110.608 -178.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -76.88 170.72 15.98 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 114.783 -1.098 . . . . 0.0 110.633 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -63.08 -30.91 71.96 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.551 0.74 . . . . 0.0 111.604 -174.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.408 ' HB3' ' HB2' ' A' ' 47' ' ' ASN . 36.7 mtmm -73.24 129.47 38.11 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 170.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -132.02 -49.36 0.94 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.856 0.862 . . . . 0.0 110.474 -176.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -97.65 8.69 44.2 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.09 0.556 . . . . 0.0 111.668 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.408 ' HB2' ' HB3' ' A' ' 44' ' ' LYS . 13.6 m120 -76.69 -43.03 39.37 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 175.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.665 HD11 HD13 ' A' ' 13' ' ' LEU . 3.0 tm? -74.33 -23.23 59.02 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.279 0.631 . . . . 0.0 110.16 177.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -59.19 -32.33 69.82 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.02 0.928 . . . . 0.0 111.616 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -64.49 -37.04 86.16 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.139 0.576 . . . . 0.0 111.358 176.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.558 HD13 ' HA ' ' A' ' 48' ' ' LEU . 2.1 mp -62.8 -31.65 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 C-N-CA 124.051 0.94 . . . . 0.0 110.12 -179.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -73.67 -37.03 65.4 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.455 176.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.545 ' HG3' HD23 ' A' ' 57' ' ' LEU . 25.1 tp60 -63.31 -40.68 97.99 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 173.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.728 ' HB3' ' HE2' ' A' ' 58' ' ' LYS . 87.7 mm-40 -63.57 -42.17 98.34 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.701 0.8 . . . . 0.0 110.629 176.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -53.12 -45.57 68.36 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.503 0.721 . . . . 0.0 110.909 174.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -69.19 -61.23 1.88 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.187 0.595 . . . . 0.0 111.262 -178.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.545 HD23 ' HG3' ' A' ' 53' ' ' GLN . 4.1 pp -64.81 -41.64 95.63 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 123.694 0.621 . . . . 0.0 112.193 -164.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.728 ' HE2' ' HB3' ' A' ' 54' ' ' GLN . 63.6 mttm -58.19 -59.96 4.5 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 123.783 0.677 . . . . 0.0 110.352 -174.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 70.5 mtm -70.53 -22.22 62.64 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.801 -174.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -77.13 -50.23 13.47 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.93 0.492 . . . . 0.0 110.855 -178.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -74.31 -37.9 63.49 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 122.999 0.52 . . . . 0.0 111.799 -173.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.03 -28.99 63.72 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.44 0.296 . . . . 0.0 110.417 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.405 ' HA ' ' HG2' ' A' ' 66' ' ' ARG . 44.2 ttp85 -71.09 -45.67 63.25 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.138 0.575 . . . . 0.0 109.894 176.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -61.82 -36.21 80.47 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.575 177.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.76 -49.83 55.51 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.506 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.405 ' HG2' ' HA ' ' A' ' 63' ' ' ARG . 6.5 ptm180 -73.21 -19.67 61.04 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.697 0.399 . . . . 0.0 111.79 -176.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.442 ' HA ' ' NE ' ' A' ' 67' ' ' ARG . 3.7 mmp_? -93.41 -5.32 49.66 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.925 0.49 . . . . 0.0 111.818 175.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.418 ' HG3' ' HE3' ' A' ' 70' ' ' LYS . 34.3 ttmt 66.49 35.9 5.32 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.053 0.941 . . . . 0.0 110.587 169.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -95.11 82.97 3.83 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.554 -178.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.418 ' HE3' ' HG3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -146.97 -172.46 4.0 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.343 178.143 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? . . . . . 0 C--O 1.25 1.107 0 C-N-CA 124.322 1.049 . . . . 0.0 108.237 -178.974 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 91.8 m95 . . . . . 0 N--CA 1.479 1.011 0 CA-C-O 120.807 0.337 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.39 146.57 29.27 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 174.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.426 ' HA ' ' HB2' ' A' ' 6' ' ' MET . 45.1 mt-10 -58.81 -19.15 38.59 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -170.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -71.3 -49.24 44.78 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.508 0.723 . . . . 0.0 111.207 175.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -73.61 -29.58 62.46 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.07 0.462 . . . . 0.0 110.219 177.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.426 ' HB2' ' HA ' ' A' ' 3' ' ' GLU . 80.9 mtp -71.72 -23.1 61.57 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.79 0.836 . . . . 0.0 110.594 172.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.95 -31.81 54.69 Favored Glycine 0 C--N 1.347 1.153 0 O-C-N 123.85 0.719 . . . . 0.0 111.787 172.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.6 m -68.02 -38.03 82.1 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.213 0.605 . . . . 0.0 109.774 171.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.37 -47.24 77.07 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.546 174.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -56.04 -43.44 77.84 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.75 1.22 . . . . 0.0 110.88 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -75.59 -29.29 59.23 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.705 -176.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.95 -46.18 68.27 Favored Glycine 0 C--N 1.343 0.964 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 172.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.577 HD22 ' HG2' ' A' ' 18' ' ' ARG . 30.1 mt -67.47 -26.34 66.33 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.427 1.091 . . . . 0.0 110.481 178.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 tt -72.86 -60.25 2.32 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 174.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -71.61 -61.81 1.64 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.014 0.926 . . . . 0.0 111.258 -168.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -81.29 -30.61 33.93 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.102 -175.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.58 -174.06 22.45 Favored Glycine 0 N--CA 1.466 0.641 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.144 -176.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.577 ' HG2' HD22 ' A' ' 13' ' ' LEU . 41.7 mtm180 -83.2 43.48 0.88 Allowed 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 121.19 0.519 . . . . 0.0 112.179 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -82.04 95.8 7.54 Favored 'General case' 0 C--N 1.344 0.366 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 173.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.476 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 55.5 m95 -52.36 -36.97 55.05 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.271 1.428 . . . . 0.0 112.261 -170.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.3 m -60.55 -51.19 70.5 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.504 1.122 . . . . 0.0 110.984 178.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.92 -42.73 89.74 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.681 -176.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.444 HG13 HD23 ' A' ' 13' ' ' LEU . 22.2 mm -77.71 -38.28 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.814 -170.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.33 -20.86 61.41 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.271 175.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -83.08 -26.41 31.11 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 122.391 0.276 . . . . 0.0 110.814 168.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.1 ttt -76.5 -62.02 1.76 Allowed 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.189 0.596 . . . . 0.0 111.469 -176.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.4 m -86.96 -36.74 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 122.85 0.46 . . . . 0.0 111.401 177.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.23 -44.96 7.75 Favored Glycine 0 C--N 1.343 0.932 0 CA-C-N 116.046 -0.525 . . . . 0.0 113.111 -175.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.8 p 50.16 32.32 5.88 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.984 1.314 . . . . 0.0 112.883 -175.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -149.67 -75.34 0.16 Allowed 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -176.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.428 HG22 ' H ' ' A' ' 33' ' ' SER . 41.9 m -124.83 135.33 52.83 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.145 0.578 . . . . 0.0 111.353 -169.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.8 t -67.65 -28.79 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 C-N-CA 124.023 0.929 . . . . 0.0 111.264 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.428 ' H ' HG22 ' A' ' 31' ' ' THR . 22.7 m -59.66 -21.84 61.07 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.791 0.837 . . . . 0.0 112.563 176.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -63.63 -51.98 62.8 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 122.955 0.502 . . . . 0.0 111.594 -176.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.476 ' SG ' ' HB3' ' A' ' 20' ' ' TRP . 29.6 p -65.46 -35.66 81.58 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.095 0.558 . . . . 0.0 110.672 -178.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -58.65 -58.8 6.99 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.039 0.936 . . . . 0.0 111.471 176.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -69.18 -30.2 68.35 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.454 -175.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -69.33 -36.65 77.14 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 122.715 0.406 . . . . 0.0 110.44 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.451 ' HE1' HD12 ' A' ' 48' ' ' LEU . 35.3 t80 -60.44 -43.93 96.32 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -167.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -80.47 8.31 7.99 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.297 0.639 . . . . 0.0 111.922 -174.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.403 ' N ' HD22 ' A' ' 41' ' ' ASN . 0.1 OUTLIER -150.74 34.42 0.61 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.059 0.944 . . . . 0.0 108.576 169.347 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -54.55 -70.18 0.11 Allowed 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.515 1.126 . . . . 0.0 110.647 -177.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.457 ' HE3' ' HB2' ' A' ' 46' ' ' GLN . 32.3 ttpt -178.24 96.39 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -63.14 -23.14 67.3 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.637 0.775 . . . . 0.0 111.702 -173.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -74.23 -28.45 61.25 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 123.48 0.712 . . . . 0.0 111.784 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.457 ' HB2' ' HE3' ' A' ' 43' ' ' LYS . 77.4 mt-30 -126.58 105.57 8.82 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.071 0.548 . . . . 0.0 109.729 -177.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -71.12 117.67 12.92 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.571 0.748 . . . . 0.0 111.303 -175.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.451 HD12 ' HE1' ' A' ' 39' ' ' TYR . 3.3 tm? -77.92 -28.61 49.71 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.583 1.153 . . . . 0.0 110.386 -178.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -61.5 -35.7 78.43 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.732 0.813 . . . . 0.0 111.845 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -64.87 -37.63 88.28 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 123.708 0.63 . . . . 0.0 110.344 178.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 48' ' ' LEU . 62.1 mt -65.41 -36.57 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 123.809 0.844 . . . . 0.0 110.61 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.427 HD23 HD13 ' A' ' 48' ' ' LEU . 3.8 mm? -68.18 -43.41 78.21 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.83 173.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -62.5 -42.27 99.39 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.833 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -63.28 -54.59 34.79 Favored 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 123.877 0.871 . . . . 0.0 110.596 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -55.14 -39.72 69.76 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.104 0.562 . . . . 0.0 111.546 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -62.54 -53.93 47.34 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.332 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.01 -28.33 62.3 Favored 'General case' 0 C--O 1.214 -0.791 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.662 -174.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.457 ' HA ' ' HE2' ' A' ' 61' ' ' LYS . 25.6 mtpp -67.92 -55.65 12.0 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.462 0.705 . . . . 0.0 111.18 -176.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -28.09 69.15 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.167 0.587 . . . . 0.0 111.954 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -82.24 -46.8 13.22 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.83 0.452 . . . . 0.0 111.647 -178.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.457 ' HE2' ' HA ' ' A' ' 58' ' ' LYS . 63.9 pttt -68.59 -37.7 80.06 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.022 0.529 . . . . 0.0 110.398 -174.173 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -71.22 -36.09 71.73 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -59.84 -45.54 92.1 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 124.276 0.985 . . . . 0.0 109.381 177.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.487 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 24.9 t-20 -59.67 -49.5 77.5 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.087 178.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.9 -32.29 73.94 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.648 0.779 . . . . 0.0 112.329 -177.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -95.06 -1.71 51.62 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.041 0.536 . . . . 0.0 111.609 -177.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -123.41 34.23 5.15 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.432 0.693 . . . . 0.0 110.863 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' ' 64' ' ' ASN . 61.1 mtpt -89.7 26.6 1.72 Allowed 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 123.442 0.697 . . . . 0.0 111.233 174.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.54 37.55 22.71 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.694 1.197 . . . . 0.0 110.215 -174.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -58.2 131.26 50.04 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.756 1.222 . . . . 0.0 109.773 176.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm . . . . . 0 C--O 1.252 1.217 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -176.18 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 96.9 m95 . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.7 m -86.18 166.33 15.83 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 171.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.45 ' HA ' ' HB2' ' A' ' 6' ' ' MET . 52.7 mt-10 -61.16 -20.0 62.21 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -169.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -65.82 -54.54 25.44 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 118.282 0.492 . . . . 0.0 110.57 175.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -75.92 -28.42 58.0 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.518 0.727 . . . . 0.0 110.964 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.45 ' HB2' ' HA ' ' A' ' 3' ' ' GLU . 15.0 mmt -55.19 -47.3 75.44 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 166.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.26 -37.03 86.08 Favored Glycine 0 C--N 1.347 1.165 0 CA-C-N 114.586 -1.188 . . . . 0.0 113.56 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.7 m -71.35 -38.13 71.64 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.181 0.593 . . . . 0.0 110.716 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.65 -35.21 60.48 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.078 0.551 . . . . 0.0 110.468 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -61.37 -42.14 98.22 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.72 0.808 . . . . 0.0 110.389 172.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -68.33 -36.49 79.35 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.069 -0.968 . . . . 0.0 109.872 177.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.99 -42.82 96.61 Favored Glycine 0 C--N 1.344 1.015 0 CA-C-N 116.169 -0.468 . . . . 0.0 112.75 177.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.9 mt -70.4 -25.38 63.21 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.962 0.905 . . . . 0.0 110.326 176.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.3 tp -76.28 -25.19 54.64 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 123.84 0.856 . . . . 0.0 111.766 173.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -106.17 -63.39 1.27 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.829 -0.545 . . . . 0.0 112.166 -177.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -73.42 -28.59 62.07 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.82 0.848 . . . . 0.0 110.896 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.18 -162.5 20.0 Favored Glycine 0 C--N 1.343 0.955 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.699 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.474 ' NE ' ' HG ' ' A' ' 52' ' ' LEU . 11.4 tpp180 -76.14 9.94 2.24 Favored 'General case' 0 CA--C 1.568 1.637 0 C-N-CA 123.992 0.917 . . . . 0.0 111.861 -174.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.484 ' O ' HG12 ' A' ' 23' ' ' ILE . 45.9 m-80 -66.31 94.67 0.27 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.89 0.876 . . . . 0.0 110.55 178.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -60.12 -31.79 70.39 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.804 0.841 . . . . 0.0 112.093 -174.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.2 t -68.23 -40.48 82.02 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.64 0.776 . . . . 0.0 110.873 177.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.9 -39.41 76.24 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.243 0.617 . . . . 0.0 111.069 -177.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.598 ' HB ' ' SG ' ' A' ' 35' ' ' CYS . 18.3 mm -74.73 -37.08 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.38 -179.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.3 -32.85 72.7 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.866 0.866 . . . . 0.0 111.646 175.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.3 ttt85 -77.45 -39.19 47.61 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.748 0.819 . . . . 0.0 110.32 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.5 ttt -69.43 -61.39 1.81 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.064 0.546 . . . . 0.0 111.741 -173.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' ' 23' ' ' ILE . 33.0 m -88.52 -40.94 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 122.799 0.439 . . . . 0.0 112.117 -177.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.05 -45.53 7.54 Favored Glycine 0 C--N 1.345 1.037 0 O-C-N 123.581 0.551 . . . . 0.0 112.744 -175.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.4 t 56.59 23.14 7.36 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 124.997 1.319 . . . . 0.0 111.54 -172.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -135.42 -77.66 0.44 Allowed 'General case' 0 C--N 1.361 1.073 0 C-N-CA 123.512 0.725 . . . . 0.0 111.485 -173.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.455 HG22 ' H ' ' A' ' 33' ' ' SER . 16.5 m -136.26 143.91 44.52 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.714 0.406 . . . . 0.0 110.92 -163.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.8 t -66.88 -33.39 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 123.676 0.79 . . . . 0.0 110.766 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.455 ' H ' HG22 ' A' ' 31' ' ' THR . 25.2 t -56.41 -38.24 71.26 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.081 0.952 . . . . 0.0 110.983 175.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -59.74 -43.85 94.07 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 124.008 0.923 . . . . 0.0 110.961 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.598 ' SG ' ' HB ' ' A' ' 23' ' ' ILE . 42.3 t -75.82 -28.75 58.4 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.222 0.609 . . . . 0.0 111.705 178.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -67.59 -52.8 34.27 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.065 0.546 . . . . 0.0 110.581 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -71.64 -21.19 61.86 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.424 0.689 . . . . 0.0 111.093 -177.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.422 ' HE1' ' HA ' ' A' ' 6' ' ' MET . 21.4 t80 -50.41 -47.46 56.54 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.675 0.79 . . . . 0.0 111.137 171.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -72.93 -31.59 64.72 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.382 -169.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -86.44 -19.35 29.76 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.405 0.682 . . . . 0.0 110.637 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -107.97 33.47 4.08 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.976 0.91 . . . . 0.0 109.718 172.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -73.13 -18.54 61.27 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 124.047 0.939 . . . . 0.0 110.467 177.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt 63.26 -86.81 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 126.216 1.806 . . . . 0.0 111.687 172.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.88 87.06 0.99 Allowed 'General case' 0 C--N 1.35 0.62 0 CA-C-O 121.554 0.692 . . . . 0.0 109.605 -177.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -130.96 178.05 6.97 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 114.51 -1.223 . . . . 0.0 108.618 172.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.7 pm0 -55.37 134.1 50.07 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.798 0.839 . . . . 0.0 110.673 170.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -61.38 108.04 0.87 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.065 0.546 . . . . 0.0 111.335 -173.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.424 HD13 ' O ' ' A' ' 48' ' ' LEU . 3.2 tm? -65.51 -32.11 73.54 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.372 0.669 . . . . 0.0 111.026 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -58.31 -43.85 88.35 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.798 0.439 . . . . 0.0 111.568 -173.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.473 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 32.7 tt0 -69.96 -40.63 75.3 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 123.51 0.506 . . . . 0.0 110.224 176.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 48' ' ' LEU . 96.5 mt -55.76 -33.56 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 C-N-CA 124.262 1.025 . . . . 0.0 111.316 177.367 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.474 ' HG ' ' NE ' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -70.46 -40.73 73.51 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.727 0.811 . . . . 0.0 109.466 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.57 HE21 HD23 ' A' ' 57' ' ' LEU . 49.9 tp60 -64.51 -38.09 89.81 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.075 174.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 10.6 mm-40 -63.48 -46.63 85.29 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -53.62 -42.98 68.31 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.117 0.967 . . . . 0.0 111.365 176.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -62.62 -60.84 2.96 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.337 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.57 HD23 HE21 ' A' ' 53' ' ' GLN . 4.4 pp -68.54 -29.14 67.64 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 123.643 0.589 . . . . 0.0 112.45 -171.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -62.49 -52.26 64.21 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.468 0.707 . . . . 0.0 110.61 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 50.4 ttm -74.84 -31.79 61.75 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.283 -178.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.92 -46.29 75.26 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.353 0.661 . . . . 0.0 111.571 -178.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -72.58 -37.74 68.08 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 122.824 0.45 . . . . 0.0 111.145 -176.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -68.58 -36.71 79.1 Favored 'General case' 0 C--O 1.21 -1.023 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.495 ' HA ' ' HG2' ' A' ' 66' ' ' ARG . 74.0 mtm180 -71.08 -32.44 69.08 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.404 0.681 . . . . 0.0 111.042 177.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -65.15 -34.36 78.2 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 122.821 0.448 . . . . 0.0 110.365 176.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.13 -52.23 6.8 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 123.692 0.797 . . . . 0.0 112.129 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.495 ' HG2' ' HA ' ' A' ' 63' ' ' ARG . 14.1 ptm180 -74.55 -26.33 59.89 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.9 0.88 . . . . 0.0 111.935 -168.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -97.51 -0.8 45.36 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.955 0.502 . . . . 0.0 111.099 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -85.55 69.57 10.67 Favored 'General case' 0 C--N 1.357 0.901 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 170.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -107.42 48.85 0.83 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.289 -1.323 . . . . 0.0 108.964 -177.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -109.57 115.28 29.62 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.162 -1.381 . . . . 0.0 108.263 177.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.437 ' HE3' ' N ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.554 1.101 0 CA-C-O 118.891 -0.576 . . . . 0.0 110.03 -177.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 84.3 m95 . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.1 m -91.67 157.88 16.7 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.574 0.75 . . . . 0.0 109.343 175.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -49.71 -21.37 1.05 Allowed 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 -173.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -75.66 -54.07 7.55 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.291 0.636 . . . . 0.0 110.954 -177.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -74.06 -29.18 61.76 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.388 0.675 . . . . 0.0 110.249 176.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 51.8 ttm -71.68 -28.88 64.02 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.361 1.064 . . . . 0.0 110.057 175.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.46 -30.16 62.79 Favored Glycine 0 C--N 1.352 1.428 0 O-C-N 123.568 0.543 . . . . 0.0 111.76 172.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.7 m -72.7 -31.72 65.22 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.341 0.656 . . . . 0.0 109.802 173.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.58 ' HA ' HG11 ' A' ' 27' ' ' VAL . . . -74.34 -37.76 63.45 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.73 0.812 . . . . 0.0 110.321 176.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.528 ' HG3' HD13 ' A' ' 51' ' ' ILE . 77.4 tttt -60.3 -54.66 43.08 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.317 1.047 . . . . 0.0 110.018 175.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -68.45 -28.33 66.96 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.642 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.02 -47.08 91.64 Favored Glycine 0 C--N 1.343 0.927 0 N-CA-C 112.148 -0.381 . . . . 0.0 112.148 175.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.564 HD22 ' HG2' ' A' ' 18' ' ' ARG . 90.2 mt -68.95 -29.06 67.22 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.684 0.793 . . . . 0.0 110.59 178.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 tt -70.01 -43.5 71.23 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.888 0.875 . . . . 0.0 109.941 174.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -77.94 -54.69 6.02 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.552 0.741 . . . . 0.0 110.773 -170.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -90.57 -8.45 50.18 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 115.091 -0.958 . . . . 0.0 112.11 -171.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 69.66 43.48 67.63 Favored Glycine 0 CA--C 1.537 1.467 0 O-C-N 123.098 0.249 . . . . 0.0 113.336 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.564 ' HG2' HD22 ' A' ' 13' ' ' LEU . 68.5 mtm180 59.85 24.38 13.4 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 124.62 1.168 . . . . 0.0 113.633 178.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.476 ' O ' HG12 ' A' ' 23' ' ' ILE . 35.2 t30 -69.99 92.91 0.75 Allowed 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 169.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -59.71 -26.97 66.05 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.898 0.879 . . . . 0.0 112.668 -166.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.6 m -59.97 -46.72 88.51 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.514 0.725 . . . . 0.0 110.506 174.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.98 -38.3 66.73 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.799 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 19' ' ' ASN . 22.5 mm -70.44 -52.69 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 122.853 0.461 . . . . 0.0 110.096 -174.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.83 -22.05 66.52 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.281 0.632 . . . . 0.0 111.701 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -79.78 -38.6 32.79 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.085 0.554 . . . . 0.0 109.544 174.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.0 ttt -74.96 -62.29 1.59 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.874 0.869 . . . . 0.0 111.266 -175.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.58 HG11 ' HA ' ' A' ' 9' ' ' ALA . 6.2 m -89.72 -35.4 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.018 0.927 . . . . 0.0 112.554 -174.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.82 -40.18 9.77 Favored Glycine 0 C--N 1.345 1.057 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.866 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.1 t 60.79 31.89 20.11 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 124.952 1.301 . . . . 0.0 110.914 -171.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.421 ' HG3' ' H ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -151.9 -177.04 5.9 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.866 0.866 . . . . 0.0 109.515 -174.061 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.421 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 87.7 m -50.3 153.73 1.43 Allowed 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 125.252 1.421 . . . . 0.0 113.031 174.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.3 t -44.81 -39.0 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 125.286 1.434 . . . . 0.0 112.726 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.3 m -49.78 -37.85 31.65 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.848 1.259 . . . . 0.0 113.545 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -56.93 -51.3 69.68 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.382 0.673 . . . . 0.0 111.876 -177.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 48.9 t -83.26 -32.35 26.47 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 122.798 0.439 . . . . 0.0 111.622 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -50.24 70.24 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.631 0.772 . . . . 0.0 109.341 -173.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -60.95 -47.78 84.85 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 123.756 0.66 . . . . 0.0 110.559 176.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -49.3 -39.07 29.66 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 124.425 1.078 . . . . 0.0 111.88 -176.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -53.23 -35.81 60.36 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.688 1.195 . . . . 0.0 112.959 -172.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -123.23 1.21 9.09 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.693 0.797 . . . . 0.0 111.434 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -75.24 -55.93 5.22 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.572 0.749 . . . . 0.0 110.314 -178.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -82.5 148.05 28.33 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.619 -175.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.2 tppm? -64.26 95.14 0.12 Allowed 'General case' 0 C--N 1.356 0.878 0 C-N-CA 123.387 0.675 . . . . 0.0 109.61 174.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -156.01 104.57 2.29 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 114.771 -1.104 . . . . 0.0 108.327 -178.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -65.62 165.4 12.48 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 123.639 0.776 . . . . 0.0 111.121 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -83.97 52.92 2.42 Favored 'General case' 0 CA--C 1.556 1.182 0 CA-C-O 121.525 0.679 . . . . 0.0 112.375 -167.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -68.41 -21.18 64.69 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.996 0.918 . . . . 0.0 109.335 163.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.464 HD13 HD23 ' A' ' 52' ' ' LEU . 2.9 tm? -60.07 -27.57 67.08 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.08 1.352 . . . . 0.0 110.818 177.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.11 -46.07 79.24 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.512 0.725 . . . . 0.0 110.815 173.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.535 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 31.8 tt0 -70.51 -30.31 67.05 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.827 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.528 HD13 ' HG3' ' A' ' 10' ' ' LYS . 82.9 mt -64.76 -31.51 54.08 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.137 0 C-N-CA 123.705 0.802 . . . . 0.0 110.42 177.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.464 HD23 HD13 ' A' ' 48' ' ' LEU . 4.3 mm? -79.84 -26.63 40.36 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.402 0.681 . . . . 0.0 111.45 174.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.468 ' HG3' HD23 ' A' ' 57' ' ' LEU . 22.6 tp60 -65.82 -35.22 80.07 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 168.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 73.6 mm-40 -67.5 -37.05 82.24 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.012 0.525 . . . . 0.0 110.387 176.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -57.3 -36.68 71.39 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.59 0.756 . . . . 0.0 111.218 174.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -71.46 -62.26 1.47 Allowed 'General case' 0 C--O 1.242 0.658 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.311 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.468 HD23 ' HG3' ' A' ' 53' ' ' GLN . 3.7 pp -74.31 -41.57 60.93 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.941 -161.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -63.17 -24.22 67.79 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 123.216 0.606 . . . . 0.0 112.591 -175.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 45.7 ttm -83.01 -48.03 11.07 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.198 0.599 . . . . 0.0 110.592 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -83.17 -22.04 33.36 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.848 0.859 . . . . 0.0 112.705 -172.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -71.07 -50.47 33.48 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.639 0.776 . . . . 0.0 109.941 -176.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -66.55 -33.53 75.87 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.468 174.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -68.09 -39.28 82.93 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.086 0.954 . . . . 0.0 110.519 -177.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -70.71 -37.08 73.53 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.31 0.644 . . . . 0.0 109.827 176.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.13 -39.84 82.63 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.736 0.814 . . . . 0.0 111.985 -179.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -83.72 -29.64 27.35 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 122.86 0.464 . . . . 0.0 112.0 -172.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -90.07 17.28 7.1 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 122.979 0.511 . . . . 0.0 111.784 -177.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -72.46 88.67 1.22 Allowed 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.646 0.736 . . . . 0.0 110.804 175.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -146.73 39.55 1.05 Allowed 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 171.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -116.97 123.59 47.29 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 114.501 -1.227 . . . . 0.0 109.91 -174.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp . . . . . 0 C--O 1.252 1.237 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 174.194 . . . . . . . . 0 0 . 1 stop_ save_